 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer02_wB97XD-augccpVDZr.in
 Output=30_ibuprofen_conformer02_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/30_ibuprofen/Gau-151072.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/30_ibuprofen/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    151084.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer02_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep 27 09:53:11 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer02_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.868055000000     -1.025183000000      0.932371000000
  C                                                -1.434107000000     -0.545371000000     -0.248073000000
  C                                                 0.458923000000     -0.767507000000      1.247518000000
  C                                                 1.261147000000     -0.015622000000      0.393477000000
  C                                                 0.704012000000      0.460918000000     -0.791509000000
  C                                                -0.622388000000      0.197168000000     -1.104326000000
  C                                                -2.884143000000     -0.797677000000     -0.560930000000
  C                                                -3.859347000000      0.079867000000      0.248474000000
  C                                                -5.302322000000     -0.340915000000     -0.025297000000
  C                                                -3.656246000000      1.566161000000     -0.039220000000
  C                                                 2.704700000000      0.290879000000      0.757917000000
  C                                                 3.609551000000     -0.230826000000     -0.341871000000
  O                                                 4.016576000000      0.405594000000     -1.279125000000
  O                                                 3.899108000000     -1.541087000000     -0.173315000000
  H                                                -1.472172000000     -1.614332000000      1.612565000000
  H                                                 0.878164000000     -1.158470000000      2.166794000000
  H                                                 1.314336000000      1.031987000000     -1.479725000000
  H                                                -1.035819000000      0.574991000000     -2.031681000000
  H                                                -3.119764000000     -1.847600000000     -0.364999000000
  H                                                -3.064334000000     -0.629403000000     -1.626821000000
  H                                                -3.648628000000     -0.091406000000      1.310090000000
  H                                                -5.462258000000     -1.394737000000      0.212636000000
  H                                                -5.554412000000     -0.194814000000     -1.079386000000
  H                                                -6.003960000000      0.248931000000      0.567812000000
  H                                                -4.340507000000      2.174366000000      0.555493000000
  H                                                -3.848256000000      1.784180000000     -1.093903000000
  H                                                -2.638064000000      1.883648000000      0.187153000000
  H                                                 2.943576000000     -0.269791000000      1.662471000000
  C                                                 2.939441000000      1.783706000000      0.996225000000
  H                                                 4.431862000000     -1.814062000000     -0.936873000000
  H                                                 2.272779000000      2.139344000000      1.781775000000
  H                                                 2.744635000000      2.353840000000      0.089526000000
  H                                                 3.970359000000      1.973688000000      1.298054000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Sep 27 09:53:11 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.868055   -1.025183    0.932371
      2          6           0       -1.434107   -0.545371   -0.248073
      3          6           0        0.458923   -0.767507    1.247518
      4          6           0        1.261147   -0.015622    0.393477
      5          6           0        0.704012    0.460918   -0.791509
      6          6           0       -0.622388    0.197168   -1.104326
      7          6           0       -2.884143   -0.797677   -0.560930
      8          6           0       -3.859347    0.079867    0.248474
      9          6           0       -5.302322   -0.340915   -0.025297
     10          6           0       -3.656246    1.566161   -0.039220
     11          6           0        2.704700    0.290879    0.757917
     12          6           0        3.609551   -0.230826   -0.341871
     13          8           0        4.016576    0.405594   -1.279125
     14          8           0        3.899108   -1.541087   -0.173315
     15          1           0       -1.472172   -1.614332    1.612565
     16          1           0        0.878164   -1.158470    2.166794
     17          1           0        1.314336    1.031987   -1.479725
     18          1           0       -1.035819    0.574991   -2.031681
     19          1           0       -3.119764   -1.847600   -0.364999
     20          1           0       -3.064334   -0.629403   -1.626821
     21          1           0       -3.648628   -0.091406    1.310090
     22          1           0       -5.462258   -1.394737    0.212636
     23          1           0       -5.554412   -0.194814   -1.079386
     24          1           0       -6.003960    0.248931    0.567812
     25          1           0       -4.340507    2.174366    0.555493
     26          1           0       -3.848256    1.784180   -1.093903
     27          1           0       -2.638064    1.883648    0.187153
     28          1           0        2.943576   -0.269791    1.662471
     29          6           0        2.939441    1.783706    0.996225
     30          1           0        4.431862   -1.814062   -0.936873
     31          1           0        2.272779    2.139344    1.781775
     32          1           0        2.744635    2.353840    0.089526
     33          1           0        3.970359    1.973688    1.298054
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.394304   0.000000
     3  C    1.388015   2.422746   0.000000
     4  C    2.417255   2.820747   1.392221   0.000000
     5  C    2.766162   2.424767   2.393058   1.393442   0.000000
     6  C    2.388018   1.394066   2.762427   2.415864   1.388076
     7  C    2.519190   1.504707   3.800985   4.325035   3.809473
     8  C    3.261392   2.553286   4.512603   5.123437   4.695850
     9  C    4.587818   3.880015   5.915571   6.584855   6.107869
    10  C    3.928494   3.072473   4.902685   5.183630   4.560631
    11  C    3.811434   4.340628   2.530495   1.520067   2.536215
    12  C    4.722674   5.054327   3.569403   2.470233   3.020404
    13  O    5.549546   5.628263   4.518516   3.250755   3.348718
    14  O    4.920827   5.425884   3.801587   3.099538   3.820841
    15  H    1.083844   2.146183   2.139977   3.393093   3.849937
    16  H    2.142626   3.399128   1.083367   2.144162   3.377026
    17  H    3.848764   3.399848   3.377538   2.146905   1.082708
    18  H    3.372581   2.143619   3.845738   3.392089   2.139638
    19  H    2.725753   2.133287   4.071095   4.808722   4.486918
    20  H    3.395548   2.136738   4.549092   4.813327   4.010857
    21  H    2.957397   2.745553   4.163292   4.995179   4.864900
    22  H    4.664900   4.142424   6.043574   6.865773   6.517258
    23  H    5.167071   4.217924   6.473226   6.975190   6.299264
    24  H    5.304130   4.709580   6.577538   7.272012   6.847597
    25  H    4.736779   4.060769   5.671688   6.016712   5.495224
    26  H    4.569453   3.459820   5.526767   5.617614   4.750327
    27  H    3.485625   2.745736   4.212401   4.342078   3.761836
    28  H    3.953757   4.784374   2.567763   2.122620   3.401706
    29  C    4.731909   5.108894   3.567185   2.533290   3.153237
    30  H    5.674991   6.040995   4.653073   3.880419   4.369614
    31  H    4.538784   5.006893   3.467750   2.755839   3.449628
    32  H    5.017939   5.097184   4.038345   2.812023   2.919507
    33  H    5.704139   6.159904   4.454984   3.480725   4.162183
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.529927   0.000000
     8  C    3.510232   1.541506   0.000000
     9  C    4.832765   2.518556   1.527804   0.000000
    10  C    3.494694   2.540877   1.527445   2.519266   0.000000
    11  C    3.813954   5.844611   6.587167   8.070006   6.536314
    12  C    4.321322   6.522068   7.498632   8.918174   7.490832
    13  O    4.646933   7.041561   8.029310   9.432456   7.858529
    14  O    4.932772   6.834866   7.937192   9.280552   8.170456
    15  H    3.374191   2.717475   3.229498   4.355942   4.196917
    16  H    3.845730   4.661073   5.259034   6.608484   5.731578
    17  H    2.142136   4.671090   5.537165   6.912336   5.202603
    18  H    1.083357   2.731964   3.662863   4.802865   3.437871
    19  H    3.311279   1.093730   2.153709   2.673772   3.470981
    20  H    2.630460   1.094033   2.156813   2.767073   2.773326
    21  H    3.882114   2.141021   1.095794   2.140144   2.137340
    22  H    5.262404   2.757093   2.178317   1.092123   3.477359
    23  H    4.947639   2.786140   2.170693   1.093617   2.790343
    24  H    5.635605   3.478894   2.174839   1.091784   2.759591
    25  H    4.526447   3.492912   2.170876   2.754822   1.091701
    26  H    3.595127   2.807055   2.169512   2.787877   1.093964
    27  H    2.928324   2.794582   2.179201   3.477368   1.090292
    28  H    4.537545   6.259751   6.957112   8.417152   7.058620
    29  C    4.429000   6.557622   7.048810   8.572291   6.680012
    30  H    5.442291   7.395830   8.586976   9.887137   8.811877
    31  H    4.525883   6.380298   6.647964   8.173087   6.228796
    32  H    4.172932   6.483694   6.986329   8.486955   6.450449
    33  H    5.479122   7.623679   8.123575   9.648381   7.753676
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516728   0.000000
    13  O    2.425638   1.203804   0.000000
    14  O    2.376952   1.352419   2.241915   0.000000
    15  H    4.669744   5.617635   6.524441   5.660864   0.000000
    16  H    2.724295   3.822878   4.916328   3.840392   2.457450
    17  H    2.736676   2.856120   2.781135   3.874076   4.932534
    18  H    4.674833   5.008419   5.110942   5.681973   4.273648
    19  H    6.305427   6.920851   7.539221   7.028176   2.584518
    20  H    6.309964   6.808135   7.164593   7.171706   3.741482
    21  H    6.388726   7.445104   8.105948   7.827540   2.673529
    22  H    8.356903   9.162963   9.762932   9.370462   4.234242
    23  H    8.474934   9.193663   9.591882   9.591791   5.091789
    24  H    8.710836   9.668365  10.190528  10.090797   5.010026
    25  H    7.295440   8.354258   8.737003   9.067911   4.868160
    26  H    6.971400   7.761745   7.986889   8.480951   4.951831
    27  H    5.604267   6.616915   6.972722   7.388732   3.953096
    28  H    1.090702   2.112446   3.203195   2.428857   4.616179
    29  C    1.529845   2.509559   2.869953   3.652812   5.602577
    30  H    3.207207   1.880654   2.283960   0.970239   6.434061
    31  H    2.156772   3.451744   3.926299   4.473577   5.305033
    32  H    2.168905   2.759471   2.699389   4.070915   5.987278
    33  H    2.173818   2.771176   3.017102   3.810990   6.526404
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276149   0.000000
    18  H    4.929037   2.456976   0.000000
    19  H    4.782082   5.403321   3.604109   0.000000
    20  H    5.496792   4.685574   2.393606   1.754785   0.000000
    21  H    4.729103   5.803110   4.293983   2.483916   3.042415
    22  H    6.638939   7.394275   5.339490   2.454796   3.117592
    23  H    7.269412   6.988921   4.681575   3.028128   2.586318
    24  H    7.204245   7.639571   5.616592   3.685670   3.772173
    25  H    6.398329   6.117548   4.491373   4.302758   3.775213
    26  H    6.452161   5.231349   3.201776   3.775159   2.593052
    27  H    5.053446   4.373245   3.033644   3.802515   3.128519
    28  H    2.304348   3.771266   5.495089   6.585151   6.858844
    29  C    3.778293   3.055548   5.141196   7.193975   6.982033
    30  H    4.763541   4.256014   6.066442   7.573323   7.620525
    31  H    3.601218   3.575225   5.285496   7.041582   6.911531
    32  H    4.487213   2.501120   4.685686   7.228407   6.752015
    33  H    4.486289   3.956933   6.172950   8.224222   8.050955
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.488439   0.000000
    23  H    3.058153   1.765681   0.000000
    24  H    2.492869   1.766702   1.764161   0.000000
    25  H    2.486330   3.756910   3.124005   2.544509   0.000000
    26  H    3.055627   3.797046   2.612967   3.124955   1.764954
    27  H    2.486577   4.327185   3.798580   3.761178   1.765929
    28  H    6.604025   8.603811   8.929681   9.029161   7.762549
    29  C    6.856910   9.016932   8.964834   9.084244   7.303732
    30  H    8.562167   9.969494  10.117704  10.743668   9.751368
    31  H    6.345218   8.647700   8.654447   8.576233   6.726109
    32  H    6.952900   9.023308   8.759919   9.010955   7.102716
    33  H    7.893904  10.074655  10.053650  10.148649   8.346386
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.765096   0.000000
    28  H    7.612186   6.161864   0.000000
    29  C    7.102216   5.636768   2.158877   0.000000
    30  H    9.029527   8.057316   3.369919   4.348347   0.000000
    31  H    6.772203   5.169582   2.503624   1.089957   5.261379
    32  H    6.722442   5.404078   3.065481   1.088625   4.612118
    33  H    8.178515   6.701751   2.494049   1.090865   4.422096
                   31         32         33
    31  H    0.000000
    32  H    1.769848   0.000000
    33  H    1.772909   1.762797   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 6.37D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.868055   -1.025183    0.932371
      2          6           0       -1.434107   -0.545371   -0.248073
      3          6           0        0.458923   -0.767507    1.247518
      4          6           0        1.261147   -0.015622    0.393477
      5          6           0        0.704012    0.460918   -0.791509
      6          6           0       -0.622388    0.197168   -1.104326
      7          6           0       -2.884143   -0.797677   -0.560930
      8          6           0       -3.859347    0.079867    0.248474
      9          6           0       -5.302322   -0.340915   -0.025297
     10          6           0       -3.656246    1.566161   -0.039220
     11          6           0        2.704700    0.290879    0.757917
     12          6           0        3.609551   -0.230826   -0.341871
     13          8           0        4.016576    0.405594   -1.279125
     14          8           0        3.899108   -1.541087   -0.173315
     15          1           0       -1.472172   -1.614332    1.612565
     16          1           0        0.878164   -1.158470    2.166794
     17          1           0        1.314336    1.031987   -1.479725
     18          1           0       -1.035819    0.574991   -2.031681
     19          1           0       -3.119764   -1.847600   -0.364999
     20          1           0       -3.064334   -0.629403   -1.626821
     21          1           0       -3.648628   -0.091406    1.310090
     22          1           0       -5.462258   -1.394737    0.212636
     23          1           0       -5.554412   -0.194814   -1.079386
     24          1           0       -6.003960    0.248931    0.567812
     25          1           0       -4.340507    2.174366    0.555493
     26          1           0       -3.848256    1.784180   -1.093903
     27          1           0       -2.638064    1.883648    0.187153
     28          1           0        2.943576   -0.269791    1.662471
     29          6           0        2.939441    1.783706    0.996225
     30          1           0        4.431862   -1.814062   -0.936873
     31          1           0        2.272779    2.139344    1.781775
     32          1           0        2.744635    2.353840    0.089526
     33          1           0        3.970359    1.973688    1.298054
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.5767951           0.2455312           0.2396504
 Leave Link  202 at Mon Sep 27 09:53:11 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       970.5837382899 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0239609220 Hartrees.
 Nuclear repulsion after empirical dispersion term =      970.5597773679 Hartrees.
 Leave Link  301 at Mon Sep 27 09:53:12 2021, MaxMem=  6442450944 cpu:              10.7 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.13D-06  NBF=   507
 NBsUse=   506 1.00D-06 EigRej=  9.69D-07 NBFU=   506
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Mon Sep 27 09:53:13 2021, MaxMem=  6442450944 cpu:               5.7 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep 27 09:53:13 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer02_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Sep 27 09:53:14 2021, MaxMem=  6442450944 cpu:               6.2 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.578665998026    
 DIIS: error= 2.03D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.578665998026     IErMin= 1 ErrMin= 2.03D-03
 ErrMax= 2.03D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.87D-03 BMatP= 7.87D-03
 IDIUse=3 WtCom= 9.80D-01 WtEn= 2.03D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.364 Goal=   None    Shift=    0.000
 GapD=    0.364 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.34D-02 MaxDP=6.98D+00              OVMax= 1.10D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.85D-02    CP:  1.71D+00
 E= -656.584801171863     Delta-E=       -0.006135173837 Rises=F Damp=F
 DIIS: error= 2.59D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.584801171863     IErMin= 2 ErrMin= 2.59D-04
 ErrMax= 2.59D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-04 BMatP= 7.87D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.59D-03
 Coeff-Com: -0.461D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.459D-01 0.105D+01
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=8.26D-03 MaxDP=1.08D+00 DE=-6.14D-03 OVMax= 3.88D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.16D-03    CP:  1.82D+00  1.15D+00
 E= -656.584944669893     Delta-E=       -0.000143498031 Rises=F Damp=F
 DIIS: error= 2.24D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -656.584944669893     IErMin= 3 ErrMin= 2.24D-04
 ErrMax= 2.24D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.00D-05 BMatP= 1.23D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.24D-03
 Coeff-Com: -0.351D-01 0.481D+00 0.554D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.350D-01 0.480D+00 0.555D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=4.50D-04 MaxDP=5.64D-02 DE=-1.43D-04 OVMax= 1.46D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.77D-05    CP:  1.83D+00  1.16D+00  1.08D+00
 E= -656.585000063683     Delta-E=       -0.000055393790 Rises=F Damp=F
 DIIS: error= 4.59D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.585000063683     IErMin= 4 ErrMin= 4.59D-05
 ErrMax= 4.59D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.16D-06 BMatP= 8.00D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.172D-02-0.309D-01 0.122D+00 0.910D+00
 Coeff:     -0.172D-02-0.309D-01 0.122D+00 0.910D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=2.55D-04 MaxDP=3.21D-02 DE=-5.54D-05 OVMax= 5.58D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.38D-05    CP:  1.83D+00  1.16D+00  1.14D+00  1.53D+00
 E= -656.585003535963     Delta-E=       -0.000003472280 Rises=F Damp=F
 DIIS: error= 3.69D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.585003535963     IErMin= 5 ErrMin= 3.69D-05
 ErrMax= 3.69D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.90D-07 BMatP= 3.16D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.182D-02-0.481D-01 0.677D-02 0.382D+00 0.657D+00
 Coeff:      0.182D-02-0.481D-01 0.677D-02 0.382D+00 0.657D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=2.41D-05 MaxDP=2.56D-03 DE=-3.47D-06 OVMax= 2.71D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.17D-05    CP:  1.83D+00  1.16D+00  1.15D+00  1.63D+00  1.12D+00
 E= -656.585004076314     Delta-E=       -0.000000540351 Rises=F Damp=F
 DIIS: error= 9.23D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.585004076314     IErMin= 6 ErrMin= 9.23D-06
 ErrMax= 9.23D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.55D-08 BMatP= 5.90D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.106D-02-0.193D-01-0.102D-01 0.804D-01 0.324D+00 0.625D+00
 Coeff:      0.106D-02-0.193D-01-0.102D-01 0.804D-01 0.324D+00 0.625D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=1.11D-05 MaxDP=1.28D-03 DE=-5.40D-07 OVMax= 9.15D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.34D-06    CP:  1.83D+00  1.16D+00  1.15D+00  1.65D+00  1.17D+00
                    CP:  1.12D+00
 E= -656.585004156570     Delta-E=       -0.000000080256 Rises=F Damp=F
 DIIS: error= 2.15D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.585004156570     IErMin= 7 ErrMin= 2.15D-06
 ErrMax= 2.15D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.55D-09 BMatP= 9.55D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.164D-03-0.992D-03-0.462D-02-0.204D-01 0.471D-01 0.250D+00
 Coeff-Com:  0.729D+00
 Coeff:      0.164D-03-0.992D-03-0.462D-02-0.204D-01 0.471D-01 0.250D+00
 Coeff:      0.729D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=9.01D-06 MaxDP=1.13D-03 DE=-8.03D-08 OVMax= 4.78D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.41D-06    CP:  1.83D+00  1.16D+00  1.15D+00  1.65D+00  1.19D+00
                    CP:  1.16D+00  1.29D+00
 E= -656.585004166762     Delta-E=       -0.000000010192 Rises=F Damp=F
 DIIS: error= 8.37D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.585004166762     IErMin= 8 ErrMin= 8.37D-07
 ErrMax= 8.37D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.49D-10 BMatP= 8.55D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.783D-04 0.203D-02-0.910D-04-0.166D-01-0.274D-01-0.231D-01
 Coeff-Com:  0.219D+00 0.846D+00
 Coeff:     -0.783D-04 0.203D-02-0.910D-04-0.166D-01-0.274D-01-0.231D-01
 Coeff:      0.219D+00 0.846D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=2.93D-06 MaxDP=3.76D-04 DE=-1.02D-08 OVMax= 1.43D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.93D-07    CP:  1.83D+00  1.16D+00  1.15D+00  1.65D+00  1.19D+00
                    CP:  1.19D+00  1.31D+00  1.17D+00
 E= -656.585004167842     Delta-E=       -0.000000001079 Rises=F Damp=F
 DIIS: error= 1.72D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.585004167842     IErMin= 9 ErrMin= 1.72D-07
 ErrMax= 1.72D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.78D-11 BMatP= 8.49D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.414D-04 0.848D-03 0.293D-03-0.497D-02-0.131D-01-0.293D-01
 Coeff-Com:  0.334D-01 0.311D+00 0.702D+00
 Coeff:     -0.414D-04 0.848D-03 0.293D-03-0.497D-02-0.131D-01-0.293D-01
 Coeff:      0.334D-01 0.311D+00 0.702D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=2.80D-07 MaxDP=2.34D-05 DE=-1.08D-09 OVMax= 5.10D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.72D-07    CP:  1.83D+00  1.16D+00  1.15D+00  1.65D+00  1.19D+00
                    CP:  1.19D+00  1.34D+00  1.19D+00  1.08D+00
 E= -656.585004167916     Delta-E=       -0.000000000074 Rises=F Damp=F
 DIIS: error= 8.24D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.585004167916     IErMin=10 ErrMin= 8.24D-08
 ErrMax= 8.24D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.44D-11 BMatP= 8.78D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.645D-06-0.692D-04 0.124D-03 0.134D-02 0.923D-03-0.725D-02
 Coeff-Com: -0.262D-01-0.484D-01 0.250D+00 0.829D+00
 Coeff:     -0.645D-06-0.692D-04 0.124D-03 0.134D-02 0.923D-03-0.725D-02
 Coeff:     -0.262D-01-0.484D-01 0.250D+00 0.829D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=3.21D-07 MaxDP=3.47D-05 DE=-7.44D-11 OVMax= 2.18D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.11D-07    CP:  1.83D+00  1.16D+00  1.15D+00  1.65D+00  1.19D+00
                    CP:  1.18D+00  1.34D+00  1.19D+00  1.10D+00  1.09D+00
 E= -656.585004167917     Delta-E=       -0.000000000001 Rises=F Damp=F
 DIIS: error= 2.67D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -656.585004167917     IErMin=11 ErrMin= 2.67D-08
 ErrMax= 2.67D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.72D-12 BMatP= 1.44D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.493D-05-0.133D-03 0.652D-05 0.110D-02 0.209D-02 0.550D-03
 Coeff-Com: -0.130D-01-0.565D-01 0.935D-02 0.296D+00 0.760D+00
 Coeff:      0.493D-05-0.133D-03 0.652D-05 0.110D-02 0.209D-02 0.550D-03
 Coeff:     -0.130D-01-0.565D-01 0.935D-02 0.296D+00 0.760D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=9.67D-08 MaxDP=1.14D-05 DE=-1.14D-12 OVMax= 8.91D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.53D-08    CP:  1.83D+00  1.16D+00  1.15D+00  1.65D+00  1.19D+00
                    CP:  1.18D+00  1.34D+00  1.17D+00  1.12D+00  1.15D+00
                    CP:  1.07D+00
 E= -656.585004168108     Delta-E=       -0.000000000191 Rises=F Damp=F
 DIIS: error= 1.16D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -656.585004168108     IErMin=12 ErrMin= 1.16D-08
 ErrMax= 1.16D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.08D-13 BMatP= 1.72D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.145D-05-0.272D-04-0.162D-04 0.113D-03 0.492D-03 0.111D-02
 Coeff-Com:  0.248D-03-0.929D-02-0.307D-01-0.353D-01 0.211D+00 0.862D+00
 Coeff:      0.145D-05-0.272D-04-0.162D-04 0.113D-03 0.492D-03 0.111D-02
 Coeff:      0.248D-03-0.929D-02-0.307D-01-0.353D-01 0.211D+00 0.862D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=1.88D-08 MaxDP=1.60D-06 DE=-1.91D-10 OVMax= 4.78D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  9.52D-09    CP:  1.83D+00  1.16D+00  1.15D+00  1.65D+00  1.19D+00
                    CP:  1.18D+00  1.33D+00  1.17D+00  1.11D+00  1.16D+00
                    CP:  1.15D+00  1.10D+00
 E= -656.585004168114     Delta-E=       -0.000000000006 Rises=F Damp=F
 DIIS: error= 7.17D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -656.585004168114     IErMin=13 ErrMin= 7.17D-09
 ErrMax= 7.17D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.94D-14 BMatP= 2.08D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.405D-06 0.140D-04-0.407D-05-0.140D-03-0.200D-03 0.185D-03
 Coeff-Com:  0.197D-02 0.631D-02-0.803D-02-0.538D-01-0.756D-01 0.192D+00
 Coeff-Com:  0.937D+00
 Coeff:     -0.405D-06 0.140D-04-0.407D-05-0.140D-03-0.200D-03 0.185D-03
 Coeff:      0.197D-02 0.631D-02-0.803D-02-0.538D-01-0.756D-01 0.192D+00
 Coeff:      0.937D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=1.20D-08 MaxDP=1.18D-06 DE=-5.91D-12 OVMax= 2.68D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  4.09D-09    CP:  1.83D+00  1.16D+00  1.15D+00  1.65D+00  1.19D+00
                    CP:  1.18D+00  1.33D+00  1.17D+00  1.11D+00  1.16D+00
                    CP:  1.18D+00  1.17D+00  1.04D+00
 E= -656.585004168108     Delta-E=        0.000000000007 Rises=F Damp=F
 DIIS: error= 2.10D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -656.585004168114     IErMin=14 ErrMin= 2.10D-09
 ErrMax= 2.10D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.12D-15 BMatP= 2.94D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.347D-06 0.851D-05 0.969D-06-0.632D-04-0.142D-03-0.889D-04
 Coeff-Com:  0.588D-03 0.345D-02 0.214D-02-0.118D-01-0.570D-01-0.650D-01
 Coeff-Com:  0.316D+00 0.811D+00
 Coeff:     -0.347D-06 0.851D-05 0.969D-06-0.632D-04-0.142D-03-0.889D-04
 Coeff:      0.588D-03 0.345D-02 0.214D-02-0.118D-01-0.570D-01-0.650D-01
 Coeff:      0.316D+00 0.811D+00
 Gap=     0.349 Goal=   None    Shift=    0.000
 RMSDP=3.34D-09 MaxDP=2.94D-07 DE= 6.59D-12 OVMax= 1.12D-07

 SCF Done:  E(RwB97XD) =  -656.585004168     A.U. after   14 cycles
            NFock= 14  Conv=0.33D-08     -V/T= 2.0061
 KE= 6.526019966739D+02 PE=-3.468263673583D+03 EE= 1.188516895373D+03
 Leave Link  502 at Mon Sep 27 10:06:13 2021, MaxMem=  6442450944 cpu:            6211.4 elap:             778.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   506
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    506 NOA=    56 NOB=    56 NVA=   450 NVB=   450

 **** Warning!!: The largest alpha MO coefficient is  0.82715752D+02

 Leave Link  801 at Mon Sep 27 10:06:13 2021, MaxMem=  6442450944 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10262 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.20D-13 8.33D-09 XBig12= 1.00D+00 3.28D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.20D-13 8.33D-09 XBig12= 1.67D-01 7.62D-02.
     11 vectors produced by pass  2 Test12= 4.20D-13 8.33D-09 XBig12= 4.82D-02 6.87D-02.
     11 vectors produced by pass  3 Test12= 4.20D-13 8.33D-09 XBig12= 5.50D-03 1.77D-02.
     11 vectors produced by pass  4 Test12= 4.20D-13 8.33D-09 XBig12= 6.27D-04 4.32D-03.
     11 vectors produced by pass  5 Test12= 4.20D-13 8.33D-09 XBig12= 8.26D-05 1.06D-03.
     11 vectors produced by pass  6 Test12= 4.20D-13 8.33D-09 XBig12= 4.99D-06 4.74D-04.
     11 vectors produced by pass  7 Test12= 4.20D-13 8.33D-09 XBig12= 2.28D-07 7.50D-05.
     11 vectors produced by pass  8 Test12= 4.20D-13 8.33D-09 XBig12= 8.60D-09 1.56D-05.
     11 vectors produced by pass  9 Test12= 4.20D-13 8.33D-09 XBig12= 3.33D-10 2.82D-06.
     10 vectors produced by pass 10 Test12= 4.20D-13 8.33D-09 XBig12= 8.89D-12 4.15D-07.
      7 vectors produced by pass 11 Test12= 4.20D-13 8.33D-09 XBig12= 2.75D-13 6.34D-08.
      2 vectors produced by pass 12 Test12= 4.20D-13 8.33D-09 XBig12= 2.55D-14 1.37D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.14D-13
 Solved reduced A of dimension   129 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.221160D+03
      2  0.996501D+01  0.143207D+03
      3  0.344458D+01 -0.958163D+01  0.146295D+03
 Isotropic polarizability for W=    0.088559      170.22 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.275102D+03 -0.270545D+02 -0.580460D+02
      2   0.132488D+03  0.318975D+02  0.351327D+02
      3   0.142614D+03 -0.484296D+01  0.229132D+02
      4   0.149633D+02 -0.913886D+02  0.686092D+01
      5  -0.836579D+01  0.822729D+01 -0.878387D+02
      6   0.129210D+02  0.366465D+02  0.192381D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.366577D+01  0.458836D+01 -0.449092D+01
      2  -0.355094D+02 -0.252011D+01 -0.482589D+02
      3  -0.851652D+01  0.467003D+02 -0.342034D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.136637D+01  0.151378D+01 -0.240811D+02
      2  -0.496802D+02 -0.606009D+01 -0.230453D+03
      3   0.420179D+02  0.223877D+03  0.469372D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.262863D+01  0.170946D+01  0.549396D+01
      2   0.170946D+01 -0.139231D+01 -0.432358D+00
      3   0.549396D+01 -0.432358D+00  0.174626D+01
 OR G Eigenvalues:    -6.8598    -0.9413     5.5264  Iso=     0.7582
 Eigenvectors:
   (1)   0.799569  -0.291516  -0.525078
   (2)   0.191183   0.952360  -0.237612
   (3)   0.569331   0.089601   0.817211
 w=    0.088559 a.u., Optical Rotation Beta=      0.7582 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      186.38 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 2.98D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.03D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.00D-14 2.78D-09 XBig12= 1.00D+00 3.35D-01.
     30 vectors produced by pass  1 Test12= 7.00D-14 2.78D-09 XBig12= 2.77D-02 2.48D-02.
     30 vectors produced by pass  2 Test12= 7.00D-14 2.78D-09 XBig12= 2.12D-03 5.44D-03.
     30 vectors produced by pass  3 Test12= 7.00D-14 2.78D-09 XBig12= 5.13D-05 1.19D-03.
     30 vectors produced by pass  4 Test12= 7.00D-14 2.78D-09 XBig12= 1.53D-06 1.17D-04.
     30 vectors produced by pass  5 Test12= 7.00D-14 2.78D-09 XBig12= 2.36D-08 1.37D-05.
     30 vectors produced by pass  6 Test12= 7.00D-14 2.78D-09 XBig12= 3.33D-10 1.51D-06.
     30 vectors produced by pass  7 Test12= 7.00D-14 2.78D-09 XBig12= 3.71D-12 1.85D-07.
     29 vectors produced by pass  8 Test12= 7.00D-14 2.78D-09 XBig12= 4.40D-14 1.64D-08.
      7 vectors produced by pass  9 Test12= 7.00D-14 2.78D-09 XBig12= 4.86D-15 4.11D-09.
      3 vectors produced by pass 10 Test12= 7.00D-14 2.78D-09 XBig12= 3.35D-15 5.81D-09.
      3 vectors produced by pass 11 Test12= 7.00D-14 2.78D-09 XBig12= 2.87D-15 4.49D-09.
      3 vectors produced by pass 12 Test12= 7.00D-14 2.78D-09 XBig12= 7.81D-15 8.24D-09.
      3 vectors produced by pass 13 Test12= 7.00D-14 2.78D-09 XBig12= 1.01D-14 5.65D-09.
      3 vectors produced by pass 14 Test12= 7.00D-14 2.78D-09 XBig12= 1.40D-14 8.29D-09.
      2 vectors produced by pass 15 Test12= 7.00D-14 2.78D-09 XBig12= 1.01D-14 8.02D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   293 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.40D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.40D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.55D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.221160D+03  0.996501D+01  0.344458D+01
      2   0.996501D+01  0.143207D+03 -0.958163D+01
      3   0.344458D+01 -0.958163D+01  0.146295D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.366577D+01  0.458836D+01 -0.449092D+01
      2  -0.355094D+02 -0.252011D+01 -0.482589D+02
      3  -0.851652D+01  0.467003D+02 -0.342034D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.275102D+03 -0.270545D+02 -0.580460D+02
      2   0.132488D+03  0.318975D+02  0.351327D+02
      3   0.142614D+03 -0.484296D+01  0.229132D+02
      4   0.149633D+02 -0.913886D+02  0.686092D+01
      5  -0.836579D+01  0.822729D+01 -0.878387D+02
      6   0.129210D+02  0.366465D+02  0.192381D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.882588D+01  0.159042D+01  0.153579D+01 -0.284179D+01 -0.316426D+00
      2   0.159042D+01 -0.112056D+01  0.756448D+00 -0.316426D+00 -0.421981D+01
      3   0.153579D+01  0.756448D+00 -0.372219D+01 -0.215184D+01  0.871247D+00
                 6             7             8             9            10 
      1  -0.215184D+01  0.135371D+02  0.372443D+00  0.111818D+01 -0.294832D+02
      2   0.871247D+00  0.372443D+00 -0.129356D+01  0.143718D+01 -0.159162D+01
      3   0.715889D+00  0.111818D+01  0.143718D+01  0.140596D+01 -0.254876D+01
                11            12            13            14            15 
      1  -0.159162D+01 -0.254876D+01 -0.319733D+01 -0.409910D+01 -0.215961D+01
      2  -0.189423D+01  0.688962D+00 -0.409910D+01 -0.223679D+01 -0.622091D+00
      3   0.688962D+00 -0.274458D+01 -0.215961D+01 -0.622091D+00 -0.172353D+01
                16            17            18            19            20 
      1  -0.579201D+01 -0.227184D+01 -0.187897D+01 -0.115657D+02 -0.245001D+01
      2  -0.227184D+01 -0.699653D+00 -0.814427D+00 -0.245001D+01  0.280140D+01
      3  -0.187897D+01 -0.814427D+00 -0.106835D+01 -0.172502D+01 -0.181219D+01
                21            22            23            24            25 
      1  -0.172502D+01 -0.105401D+02  0.225628D-01 -0.443880D+00  0.752622D+01
      2  -0.181219D+01  0.225628D-01 -0.252728D+01  0.115117D+01  0.222268D+01
      3   0.100192D+01 -0.443880D+00  0.115117D+01  0.271545D+01 -0.162213D+00
                26            27            28            29            30 
      1   0.222268D+01 -0.162213D+00  0.262681D+02  0.328181D+01  0.293860D+01
      2   0.817463D+00  0.150895D+01  0.328181D+01  0.223433D+01 -0.323745D-01
      3   0.150895D+01  0.316067D+01  0.293860D+01 -0.323745D-01  0.269772D+01
                31            32            33            34            35 
      1   0.278605D+01  0.396403D+01  0.243273D+01  0.292591D+01  0.268579D+01
      2   0.396403D+01  0.172158D+01  0.138852D+01  0.268579D+01  0.177603D+01
      3   0.243273D+01  0.138852D+01  0.127682D+01  0.238180D+01 -0.518207D+00
                36            37            38            39            40 
      1   0.238180D+01 -0.773567D+01 -0.153776D+01 -0.196077D+01  0.388320D+01
      2  -0.518207D+00 -0.153776D+01  0.465629D+00 -0.617097D-01  0.105362D+01
      3   0.863064D+00 -0.196077D+01 -0.617097D-01  0.339988D+01  0.173115D+01
                41            42            43            44            45 
      1   0.105362D+01  0.173115D+01 -0.133199D+02 -0.140549D+01 -0.104590D+01
      2   0.391033D+01 -0.109930D+01 -0.140549D+01 -0.159107D+00 -0.732613D+00
      3  -0.109930D+01 -0.760285D+00 -0.104590D+01 -0.732613D+00 -0.181970D+01
                46            47            48            49            50 
      1   0.105183D+02  0.209490D+01  0.163329D+01  0.103936D+02 -0.563257D+00
      2   0.209490D+01 -0.167421D+01  0.850961D+00 -0.563257D+00  0.229684D+01
      3   0.163329D+01  0.850961D+00 -0.346408D+00  0.128387D+01 -0.169281D+01
                51            52            53            54            55 
      1   0.128387D+01 -0.730789D+01 -0.151679D+01  0.138980D+00  0.171246D+02
      2  -0.169281D+01 -0.151679D+01 -0.879938D+00 -0.130379D+01 -0.129396D+01
      3  -0.240751D+01  0.138980D+00 -0.130379D+01 -0.299969D+01 -0.140470D+00
                56            57            58            59            60 
      1  -0.129396D+01 -0.140470D+00 -0.445936D+01  0.500091D+01  0.947421D+00
      2   0.230000D+01  0.429818D+00  0.500091D+01  0.553756D+01 -0.333946D+00
      3   0.429818D+00  0.113944D+01  0.947421D+00 -0.333946D+00 -0.108161D+01
                61            62            63            64            65 
      1  -0.618834D+01  0.117840D+01  0.249045D+01 -0.279939D+01  0.441800D+01
      2   0.117840D+01 -0.174086D+01 -0.389342D+00  0.441800D+01 -0.201936D+01
      3   0.249045D+01 -0.389342D+00  0.567450D+01  0.128903D+01 -0.487724D+00
                66            67            68            69            70 
      1   0.128903D+01  0.114537D+02 -0.319871D+01 -0.456424D+00  0.843371D+01
      2  -0.487724D+00 -0.319871D+01 -0.486387D+01  0.655750D+00 -0.678942D+00
      3  -0.220715D+01 -0.456424D+00  0.655750D+00  0.177608D+01 -0.314250D+01
                71            72            73            74            75 
      1  -0.678942D+00 -0.314250D+01 -0.352740D+01 -0.377121D+01 -0.218944D+01
      2   0.157338D+01  0.176244D+01 -0.377121D+01  0.178296D+01  0.711967D+00
      3   0.176244D+01 -0.720277D+01 -0.218944D+01  0.711967D+00  0.270124D+01
                76            77            78            79            80 
      1  -0.582137D+01  0.336812D+01  0.901059D+00 -0.407524D+01  0.851978D+00
      2   0.336812D+01  0.571833D+01 -0.212261D+01  0.851978D+00 -0.234491D+01
      3   0.901059D+00 -0.212261D+01 -0.166528D+01  0.426952D+01 -0.127550D+01
                81            82            83            84            85 
      1   0.426952D+01 -0.357141D+01 -0.418461D+01 -0.277130D+01 -0.514599D+01
      2  -0.127550D+01 -0.418461D+01  0.209241D+01  0.888100D+00  0.214250D+01
      3   0.495536D+01 -0.277130D+01  0.888100D+00  0.182354D+01  0.824819D+00
                86            87            88            89            90 
      1   0.214250D+01  0.824819D+00 -0.400978D+01  0.977755D+00  0.267541D+01
      2   0.295976D+01 -0.139155D+01  0.977755D+00 -0.230258D+01 -0.309468D+01
      3  -0.139155D+01 -0.220400D+01  0.267541D+01 -0.309468D+01  0.473621D+01
                91            92            93            94            95 
      1  -0.368312D+01  0.748217D+00 -0.192740D+00  0.438296D+00 -0.493341D+01
      2   0.748217D+00 -0.221056D+01 -0.785548D+00 -0.493341D+01 -0.386116D+01
      3  -0.192740D+00 -0.785548D+00 -0.146965D+01 -0.247984D+01 -0.255998D+01
                96            97            98            99           100 
      1  -0.247984D+01  0.433092D+01 -0.195901D+01 -0.288990D+01 -0.211825D+01
      2  -0.255998D+01 -0.195901D+01 -0.961427D+00  0.279228D+01 -0.177040D+01
      3   0.169072D+01 -0.288990D+01  0.279228D+01 -0.171993D+01  0.109716D+01
               101           102           103           104           105 
      1  -0.177040D+01  0.109716D+01 -0.369304D+01  0.402323D+00  0.311083D+01
      2   0.191827D-01  0.125828D+01  0.402323D+00  0.367227D+00  0.177585D+00
      3   0.125828D+01  0.517777D+00  0.311083D+01  0.177585D+00 -0.373880D+01
               106           107           108           109           110 
      1   0.214353D+01  0.189308D+01 -0.775031D+00  0.536886D+01  0.228558D+01
      2   0.189308D+01  0.263832D+00 -0.265709D+01  0.228558D+01  0.137526D+01
      3  -0.775031D+00 -0.265709D+01  0.168103D+01 -0.333647D+01 -0.920276D+00
               111           112           113           114           115 
      1  -0.333647D+01  0.553422D+01  0.186978D+01 -0.202924D+01 -0.780446D+01
      2  -0.920276D+00  0.186978D+01  0.411773D+01 -0.189990D+01 -0.111240D+01
      3   0.149827D+01 -0.202924D+01 -0.189990D+01  0.295071D+01  0.380134D+01
               116           117           118           119           120 
      1  -0.111240D+01  0.380134D+01 -0.879244D+00  0.600295D-01  0.216561D+01
      2  -0.276917D+01  0.232978D+01  0.600295D-01 -0.141240D+01 -0.159465D+01
      3   0.232978D+01 -0.682698D+01  0.216561D+01 -0.159465D+01 -0.159440D+01
               121           122           123           124           125 
      1  -0.253392D+01  0.442052D+00 -0.162016D+01  0.459536D+01 -0.310878D+01
      2   0.442052D+00 -0.434171D+01  0.143792D+01 -0.310878D+01  0.362201D+01
      3  -0.162016D+01  0.143792D+01  0.986409D+00 -0.163017D+01  0.743777D+00
               126           127           128           129           130 
      1  -0.163017D+01 -0.334355D+01 -0.189947D+01  0.180608D+01 -0.224510D+01
      2   0.743777D+00 -0.189947D+01 -0.179694D+01  0.140273D+01 -0.163523D+01
      3   0.304865D+01  0.180608D+01  0.140273D+01 -0.145391D+01  0.181788D+01
               131           132           133           134           135 
      1  -0.163523D+01  0.181788D+01  0.215219D+01  0.157693D+01 -0.195267D+01
      2  -0.217132D+01  0.185568D+01  0.157693D+01  0.250570D+01 -0.239302D+01
      3   0.185568D+01 -0.243579D+01 -0.195267D+01 -0.239302D+01  0.333001D+01
               136           137           138           139           140 
      1   0.192364D+01 -0.600185D+00  0.204082D+01 -0.643108D+00  0.347037D+00
      2  -0.600185D+00  0.394878D+00 -0.657804D+00  0.347037D+00 -0.112523D+01
      3   0.204082D+01 -0.657804D+00  0.233078D+01 -0.880727D+00  0.133731D+01
               141           142           143           144           145 
      1  -0.880727D+00  0.199918D+01 -0.119564D+01  0.256712D+01  0.325725D+01
      2   0.133731D+01 -0.119564D+01  0.189177D+01 -0.273108D+01  0.147049D+01
      3  -0.311173D+01  0.256712D+01 -0.273108D+01  0.649915D+01 -0.147381D+01
               146           147           148           149           150 
      1   0.147049D+01 -0.147381D+01  0.186040D+01  0.118415D+01 -0.145674D+01
      2   0.123649D+01 -0.852140D+00  0.118415D+01  0.139495D+01 -0.130396D+01
      3  -0.852140D+00  0.127137D+01 -0.145674D+01 -0.130396D+01  0.200555D+01
               151           152           153           154           155 
      1  -0.207108D+01 -0.131520D+01  0.180529D+01 -0.173465D+01  0.577071D+00
      2  -0.131520D+01 -0.191818D+01  0.182406D+01  0.577071D+00 -0.254416D+00
      3   0.180529D+01  0.182406D+01 -0.318320D+01 -0.184566D+01  0.466789D+00
               156           157           158           159           160 
      1  -0.184566D+01  0.339120D+00 -0.266031D+00  0.656460D+00 -0.229979D+01
      2   0.466789D+00 -0.266031D+00  0.779483D+00 -0.106350D+01  0.105327D+01
      3  -0.215407D+01  0.656460D+00 -0.106350D+01  0.277056D+01 -0.251204D+01
               161           162           163           164           165 
      1   0.105327D+01 -0.251204D+01 -0.315661D+01 -0.161161D+01  0.195541D+00
      2  -0.147984D+01  0.219493D+01 -0.161161D+01 -0.167678D+01 -0.256573D+00
      3   0.219493D+01 -0.645199D+01  0.195541D+00 -0.256573D+00 -0.226467D+00
               166           167           168           169           170 
      1  -0.436347D+01 -0.314771D+01 -0.450049D+00  0.373757D+01  0.323398D+00
      2  -0.314771D+01 -0.818475D+01 -0.412869D+00  0.323398D+00  0.106975D+01
      3  -0.450049D+00 -0.412869D+00 -0.740460D+00 -0.507983D+00 -0.830321D+00
               171           172           173           174           175 
      1  -0.507983D+00 -0.111733D+01  0.297571D+00 -0.124093D+01  0.231386D+01
      2  -0.830321D+00  0.297571D+00 -0.463995D+00 -0.194316D+00 -0.700713D+00
      3  -0.256403D+00 -0.124093D+01 -0.194316D+00 -0.122888D+01  0.293163D+00
               176           177           178           179           180 
      1  -0.700713D+00  0.293163D+00 -0.303004D+01 -0.191719D+00 -0.207867D+01
      2  -0.327712D+00 -0.707470D+00 -0.191719D+00 -0.991307D+00 -0.736242D+00
      3  -0.707470D+00  0.841967D+00 -0.207867D+01 -0.736242D+00 -0.679749D+01
               181           182           183           184           185 
      1   0.943578D+00 -0.995105D+00  0.103989D+01 -0.192711D+01  0.322905D+00
      2  -0.995105D+00  0.394069D+00  0.488860D-01  0.322905D+00  0.500470D-01
      3   0.103989D+01  0.488860D-01  0.727279D+00 -0.992698D-01  0.869249D+00
               186           187           188           189           190 
      1  -0.992698D-01  0.190156D+01 -0.282540D-02  0.369093D+00 -0.940876D+00
      2   0.869249D+00 -0.282540D-02  0.123636D+01 -0.811622D+00 -0.120026D+01
      3  -0.856086D+00  0.369093D+00 -0.811622D+00  0.702197D+01  0.457407D+00
               191           192           193           194           195 
      1  -0.120026D+01  0.457407D+00 -0.337156D+01 -0.336093D+01  0.354524D+00
      2  -0.131231D+01  0.160934D+00 -0.336093D+01 -0.801155D+01  0.113007D+01
      3   0.160934D+00 -0.455252D+00  0.354524D+00  0.113007D+01 -0.115345D+01
               196           197           198           199           200 
      1   0.116674D+01  0.492003D+00 -0.105546D+01 -0.159816D+01  0.334260D+00
      2   0.492003D+00  0.151654D+01 -0.948626D+00  0.334260D+00 -0.403940D+00
      3  -0.105546D+01 -0.948626D+00  0.257893D+00 -0.122198D+01 -0.222413D-01
               201           202           203           204           205 
      1  -0.122198D+01  0.112423D+01 -0.869034D+00  0.272836D+00 -0.391074D+01
      2  -0.222413D-01 -0.869034D+00 -0.232502D+00 -0.603307D+00 -0.233718D+00
      3  -0.146322D+01  0.272836D+00 -0.603307D+00  0.775957D+00 -0.331033D+01
               206           207           208           209           210 
      1  -0.233718D+00 -0.331033D+01 -0.717690D+01  0.204282D+01  0.238753D+01
      2  -0.114702D+01  0.186896D+00  0.204282D+01 -0.146897D+01 -0.775716D+00
      3   0.186896D+00 -0.656759D+01  0.238753D+01 -0.775716D+00 -0.176046D+01
               211           212           213           214           215 
      1   0.513160D+01 -0.226927D+01 -0.128867D+01  0.499312D+01 -0.102912D+01
      2  -0.226927D+01  0.138151D+01  0.112212D+01 -0.102912D+01  0.144211D+01
      3  -0.128867D+01  0.112212D+01  0.136209D+01 -0.275815D+01  0.974674D+00
               216           217           218           219           220 
      1  -0.275815D+01 -0.419288D+01  0.321369D+01  0.174084D+01  0.265421D+01
      2   0.974674D+00  0.321369D+01 -0.331471D+01 -0.116186D+01 -0.292171D+01
      3   0.171544D+01  0.174084D+01 -0.116186D+01 -0.147263D+01 -0.114293D+01
               221           222           223           224           225 
      1  -0.292171D+01 -0.114293D+01  0.289458D+01 -0.188315D+01 -0.187590D+01
      2   0.394578D+01  0.168466D+01 -0.188315D+01  0.288386D+01  0.200053D+01
      3   0.168466D+01  0.140014D+01 -0.187590D+01  0.200053D+01  0.165594D+01
               226           227           228           229           230 
      1  -0.481475D+00  0.873313D+00 -0.761464D+00  0.694715D+00 -0.559117D+00
      2   0.873313D+00 -0.736719D+00  0.246373D+00 -0.559117D+00  0.107806D+01
      3  -0.761464D+00  0.246373D+00 -0.107637D+01  0.178200D+00 -0.981656D+00
               231           232           233           234           235 
      1   0.178200D+00 -0.175683D+01  0.684857D+00 -0.145229D+01  0.815291D+01
      2  -0.981656D+00  0.684857D+00 -0.244164D+01  0.229508D+01  0.120650D+01
      3   0.113042D+01 -0.145229D+01  0.229508D+01 -0.609715D+01  0.113367D+01
               236           237           238           239           240 
      1   0.120650D+01  0.113367D+01  0.988594D+00  0.140930D+01  0.207477D+00
      2   0.244292D+01  0.304931D+00  0.140930D+01  0.126131D+01  0.414257D+00
      3   0.304931D+00  0.748788D+00  0.207477D+00  0.414257D+00  0.668251D+00
               241           242           243           244           245 
      1   0.110152D+01  0.332999D+00  0.365052D+00 -0.284113D+00 -0.110192D+01
      2   0.332999D+00  0.776802D+00  0.840308D+00 -0.110192D+01  0.547109D+00
      3   0.365052D+00  0.840308D+00  0.157216D+00  0.117488D+01 -0.227433D+00
               246           247           248           249           250 
      1   0.117488D+01 -0.196349D+01  0.943421D+00 -0.438872D+00  0.213890D+01
      2  -0.227433D+00  0.943421D+00 -0.139290D+01  0.146669D+01 -0.226745D+00
      3   0.105838D+01 -0.438872D+00  0.146669D+01 -0.189934D+01  0.193781D+01
               251           252           253           254           255 
      1  -0.226745D+00  0.193781D+01 -0.763863D+01 -0.374650D+01 -0.398256D+01
      2   0.182531D+01 -0.150884D+01 -0.374650D+01  0.107288D+01  0.384734D+00
      3  -0.150884D+01  0.510677D+01 -0.398256D+01  0.384734D+00  0.168397D+01
               256           257           258           259           260 
      1   0.149105D+01  0.357118D+01  0.116888D+01 -0.363918D+01  0.567360D+00
      2   0.357118D+01  0.410627D+01  0.225609D+01  0.567360D+00  0.148248D+01
      3   0.116888D+01  0.225609D+01 -0.180853D+01  0.194394D+01 -0.301031D+01
               261           262           263           264           265 
      1   0.194394D+01  0.394687D+01 -0.272924D+01 -0.184565D+01 -0.173161D+01
      2  -0.301031D+01 -0.272924D+01  0.248799D+01  0.126715D+01  0.193514D+01
      3   0.133325D+00 -0.184565D+01  0.126715D+01  0.165022D+01  0.986089D+00
               266           267           268           269           270 
      1   0.193514D+01  0.986089D+00 -0.371515D+01  0.284883D+01  0.287618D+01
      2  -0.295529D+01 -0.116154D+01  0.284883D+01 -0.327751D+01 -0.243612D+01
      3  -0.116154D+01 -0.124134D+01  0.287618D+01 -0.243612D+01 -0.307578D+01
               271           272           273           274           275 
      1  -0.148636D+01  0.113160D+01  0.164225D+01  0.591264D+00 -0.820419D+00
      2   0.113160D+01 -0.209710D+01 -0.140040D+01 -0.820419D+00  0.174147D+01
      3   0.164225D+01 -0.140040D+01 -0.223326D+01 -0.537004D+00  0.125701D+01
               276           277           278           279           280 
      1  -0.537004D+00  0.205342D+01 -0.482828D+00 -0.111122D+01  0.339985D+00
      2   0.125701D+01 -0.482828D+00  0.230800D+01  0.255050D+01  0.684905D+00
      3   0.155278D+01 -0.111122D+01  0.255050D+01  0.414656D+01 -0.294365D+00
               281           282           283           284           285 
      1   0.684905D+00 -0.294365D+00  0.869866D+00 -0.139994D-01 -0.623599D-01
      2  -0.692629D+00  0.779284D-01 -0.139994D-01  0.294820D+01 -0.158121D+01
      3   0.779284D-01 -0.441052D+00 -0.623599D-01 -0.158121D+01  0.174244D+01
               286           287           288           289           290 
      1  -0.156537D+01 -0.494592D+00 -0.399581D+00  0.118449D+02  0.417268D+01
      2  -0.494592D+00 -0.335160D+01  0.160793D+01  0.417268D+01  0.290233D+01
      3  -0.399581D+00  0.160793D+01 -0.284802D+01  0.325299D+01  0.129796D+01
               291           292           293           294           295 
      1   0.325299D+01  0.193037D+01  0.169603D+01  0.530233D+00  0.285427D+01
      2   0.129796D+01  0.169603D+01  0.113544D+01  0.462359D+00  0.104701D+01
      3   0.179935D+01  0.530233D+00  0.462359D+00  0.465507D+00  0.179879D+01
               296           297 
      1   0.104701D+01  0.179879D+01
      2   0.766923D+00  0.114250D+01
      3   0.114250D+01  0.136532D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.236030D+01 -0.854250D+00 -0.249822D+01 -0.676642D+01 -0.156406D+01
      2   0.260014D+01 -0.207905D+01  0.210021D+01 -0.584724D+01  0.160202D+01
      3  -0.686304D+01 -0.348026D+01 -0.197213D-01  0.106297D+02 -0.120763D+01
                 6             7             8             9            10 
      1  -0.370504D+01 -0.435680D+01  0.256444D+01 -0.505185D+00 -0.983328D+00
      2  -0.146731D+01 -0.476016D+01 -0.137832D+01 -0.310595D+00  0.417058D+01
      3   0.314880D+01 -0.382147D+01 -0.130920D+01  0.331966D+01  0.129962D+02
                11            12            13            14            15 
      1  -0.167458D+01  0.138884D+01 -0.532786D+01  0.489533D+01 -0.680939D+01
      2   0.112319D+01 -0.319084D+01  0.734085D+01  0.291838D+01 -0.262385D+01
      3   0.144128D+01  0.647808D+00  0.144564D+02  0.148131D+01  0.952907D+00
                16            17            18            19            20 
      1   0.710655D+01  0.466776D+00 -0.562895D+01 -0.207781D+01  0.146971D+01
      2  -0.212052D+02 -0.228964D+01  0.132061D+01  0.126854D+01 -0.235081D+01
      3  -0.418627D+01  0.100536D+01 -0.102336D+01  0.247450D+01 -0.525089D+00
                21            22            23            24            25 
      1  -0.872751D+00  0.399199D+01  0.950285D+00  0.233663D-01  0.290927D+01
      2   0.833509D+01  0.248032D+01 -0.313863D+01  0.373080D+01 -0.887859D+01
      3   0.339707D+01  0.130522D+02  0.345518D+01  0.652508D+00  0.204393D+01
                26            27            28            29            30 
      1   0.335857D+01  0.395896D+01  0.126987D+01 -0.175682D+01  0.460089D+01
      2   0.886989D-01 -0.585579D-01 -0.381813D+01  0.877164D+00 -0.298745D+01
      3   0.294948D-01 -0.220451D+01 -0.126147D+02 -0.181366D+01 -0.260883D+01
                31            32            33            34            35 
      1  -0.172935D+01  0.530681D+01 -0.560009D+01  0.889134D+01  0.215906D+01
      2   0.683289D+01  0.285146D+01 -0.413296D+01 -0.204182D+02 -0.639480D+01
      3   0.136401D+02  0.107722D+01 -0.148179D+01 -0.956254D+01 -0.721999D+00
                36            37            38            39            40 
      1  -0.413040D+01  0.592242D+00 -0.128886D+01  0.429715D+00 -0.490688D+01
      2  -0.345574D+01  0.713103D+01 -0.922722D+00  0.291057D+01 -0.706457D+01
      3  -0.152198D+01  0.283082D+01 -0.178550D+01  0.269308D+01  0.888284D+01
                41            42            43            44            45 
      1  -0.259118D+01 -0.351433D+01 -0.424198D+01  0.154908D+01 -0.252562D+01
      2   0.112389D+01 -0.222573D+01  0.695109D-01 -0.298724D+00  0.254852D+00
      3  -0.740917D+00  0.282482D+01  0.870536D+01  0.105743D+01  0.506826D+01
                46            47            48            49            50 
      1  -0.334067D+00  0.260114D+01 -0.158367D+01  0.612568D+01  0.396491D+00
      2  -0.335033D+01 -0.361272D+01  0.837407D+01 -0.538842D+01 -0.347924D+01
      3  -0.117535D+02 -0.332748D+01  0.225675D+01  0.648887D+01  0.148294D+01
                51            52            53            54            55 
      1  -0.196159D+01  0.259092D+01  0.271690D+01  0.985664D+00 -0.185146D+01
      2   0.488157D+01 -0.541789D+01  0.730911D+00 -0.119221D+01  0.494483D+01
      3  -0.105329D+01  0.912197D+01  0.100138D+01 -0.208700D+01 -0.155500D+02
                56            57            58            59            60 
      1   0.505174D+00 -0.141226D+00 -0.273961D-01 -0.635243D+01 -0.272692D+01
      2  -0.160408D+01  0.389412D+00 -0.351234D+01  0.596692D+01  0.376288D+01
      3   0.607669D+01  0.186579D+01  0.277781D+02  0.129915D+02 -0.156381D+01
                61            62            63            64            65 
      1   0.934204D+00  0.210762D+01  0.631431D+01  0.205248D+01 -0.465990D+00
      2  -0.195885D+02  0.290931D+01 -0.206715D+02 -0.107320D+02  0.215454D+01
      3   0.935043D+01 -0.629584D+01 -0.490227D+01  0.256872D+02 -0.125011D+02
                66            67            68            69            70 
      1   0.745660D+00  0.120848D+01 -0.866028D+00 -0.236788D+01 -0.130664D+01
      2   0.110650D+02  0.419821D+01 -0.494740D+01 -0.626689D+01  0.108338D+02
      3  -0.216700D+01 -0.124283D+02 -0.191482D+02  0.298026D+01 -0.855862D+01
                71            72            73            74            75 
      1   0.396460D+01  0.140236D+01 -0.947839D+00 -0.273558D+00  0.117509D+01
      2  -0.879553D+01  0.335966D+02  0.140136D+02 -0.385980D+01 -0.140108D+02
      3   0.619305D+01  0.881015D+01 -0.190124D+02  0.108176D+02  0.517331D+01
                76            77            78            79            80 
      1  -0.105125D+01 -0.175235D+01 -0.186225D+01  0.214877D+01  0.128501D+01
      2  -0.524187D+01  0.133283D+02  0.828994D+01 -0.289401D+02  0.683140D+01
      3   0.271904D+02  0.325256D+02 -0.126720D+02  0.656055D+01 -0.134468D+02
                81            82            83            84            85 
      1   0.209263D+01  0.499457D+01 -0.180007D+01 -0.417974D+01 -0.203279D+01
      2  -0.284856D+02  0.102698D+02 -0.430029D+01 -0.552931D+01 -0.462922D+01
      3  -0.983555D+01 -0.272996D+02 -0.380708D+01 -0.164244D+01  0.109868D+01
                86            87            88            89            90 
      1   0.526550D+01  0.340934D+01 -0.611917D+01  0.924843D+01 -0.921153D+01
      2   0.541808D+01  0.851870D+01 -0.128965D+02  0.117588D+02 -0.185529D+02
      3   0.147755D+02 -0.370765D+01 -0.147568D+01 -0.652450D+01 -0.849204D+01
                91            92            93            94            95 
      1  -0.137555D+01 -0.211922D+01  0.745206D+00 -0.406293D+01 -0.211991D+01
      2   0.856182D+01 -0.215194D+01  0.180354D+00 -0.875267D+01 -0.439795D+01
      3  -0.632877D+01  0.215743D+01  0.215737D+01  0.232293D+02  0.110557D+02
                96            97            98            99           100 
      1  -0.651268D+01  0.337805D+01  0.189156D+01  0.388781D+01  0.182613D+01
      2   0.839064D+01 -0.230310D+02  0.100348D+02 -0.421508D+01 -0.163263D+02
      3   0.809175D+01  0.877177D+01  0.465497D+01 -0.102415D+02  0.157031D+02
               101           102           103           104           105 
      1   0.688497D+01 -0.943627D+00  0.298890D+01  0.534221D+01  0.150854D+01
      2   0.652856D+01  0.484803D+01  0.101797D+02  0.113007D+01 -0.102502D+02
      3  -0.504709D+01 -0.487725D+01  0.244088D+00 -0.423234D+01 -0.399122D+01
               106           107           108           109           110 
      1  -0.299937D+01  0.652461D+00 -0.286060D+01 -0.169042D+01 -0.441125D+01
      2  -0.676292D+01 -0.896133D+01  0.183074D+02 -0.521417D+01 -0.337476D+01
      3  -0.204033D+01 -0.120207D+02  0.810264D+01 -0.994363D+01 -0.834423D+01
               111           112           113           114           115 
      1  -0.833333D+00 -0.930730D+00 -0.553699D+01 -0.269905D+01 -0.149852D+00
      2   0.810726D+01 -0.680492D+01 -0.855660D+01  0.110473D+02  0.105105D+02
      3   0.362710D+01 -0.211022D+01 -0.162225D+02  0.758911D+01 -0.296720D+01
               116           117           118           119           120 
      1   0.794176D+01  0.460339D+00  0.318392D+01 -0.146928D+01 -0.721994D+00
      2   0.993437D+01 -0.310495D+02  0.101783D+02 -0.703264D+01 -0.337012D+01
      3   0.151993D+02 -0.864699D+01 -0.399924D+00  0.284937D+01  0.371460D+01
               121           122           123           124           125 
      1   0.971188D+00  0.163233D+01 -0.599245D+01 -0.328557D+01  0.283098D+01
      2  -0.250615D+01  0.549482D+01  0.982533D+00 -0.715664D+01  0.252079D+01
      3   0.284436D+01  0.187729D+02 -0.486127D+01  0.769294D+01 -0.986781D+01
               126           127           128           129           130 
      1   0.591976D+01  0.223006D+00 -0.180549D+01 -0.881530D+00  0.872207D+00
      2   0.117040D+02  0.510919D+01  0.119054D+01  0.843857D-01  0.175445D+01
      3   0.174962D+00  0.425464D+01 -0.466473D+00 -0.903357D+00  0.406718D+01
               131           132           133           134           135 
      1  -0.238086D+00 -0.329342D+01 -0.547307D+00  0.192323D+01  0.170968D+01
      2   0.420300D+00  0.534024D+00 -0.282531D+01 -0.469656D-01 -0.160042D+01
      3  -0.108854D+01 -0.531549D+00 -0.158125D+01  0.163764D+01  0.547187D-01
               136           137           138           139           140 
      1   0.143556D+01  0.981974D+00  0.219671D+01 -0.442116D+00 -0.722004D+00
      2  -0.341245D+01  0.283712D+00 -0.718988D+00  0.456329D+00  0.114852D+00
      3  -0.301390D+01 -0.396380D+00 -0.173810D+01  0.155797D+01  0.673971D+00
               141           142           143           144           145 
      1  -0.289246D+01  0.531156D+00  0.317179D+01  0.221253D+01 -0.127277D+01
      2  -0.123580D+01 -0.447744D+01  0.158535D+00  0.944252D+00  0.576346D+01
      3   0.494188D+00 -0.243203D+01 -0.799555D+00 -0.153430D+01  0.295439D+01
               146           147           148           149           150 
      1  -0.256616D+01 -0.280701D+00 -0.821190D+00 -0.124040D+01 -0.189586D+01
      2   0.144322D+01 -0.274798D+00  0.311791D+01  0.626207D+00  0.463676D+00
      3  -0.836336D+00 -0.459180D+00  0.276091D+01 -0.945809D+00  0.708907D-02
               151           152           153           154           155 
      1   0.347070D+00  0.273427D+01  0.331991D+00 -0.356784D+00  0.130899D+01
      2  -0.263573D+01 -0.367963D+00 -0.115471D+01 -0.371905D+01  0.560427D+00
      3  -0.733659D+00  0.213112D+01 -0.266004D+00 -0.125142D+01 -0.505796D+00
               156           157           158           159           160 
      1   0.619354D+00  0.120470D+00 -0.124769D+01 -0.100848D+01 -0.137718D+01
      2  -0.508458D+00  0.406399D+00  0.232163D+00 -0.143706D+01 -0.487087D+01
      3  -0.324935D+00  0.112726D+01  0.655265D+00 -0.222594D+00 -0.643903D+00
               161           162           163           164           165 
      1   0.445854D+01 -0.128974D+01  0.112331D+01  0.979937D+00 -0.917645D+00
      2   0.145406D+00  0.175382D+01 -0.347342D+01 -0.494803D+00  0.208625D+01
      3  -0.143897D+01  0.115597D+00 -0.163831D+01 -0.500739D+01 -0.837077D+00
               166           167           168           169           170 
      1   0.155142D+01  0.550039D+01 -0.310982D+01 -0.885270D+00 -0.935696D+00
      2  -0.146807D+01 -0.218299D+01  0.268841D+01  0.149803D+01  0.249785D+01
      3  -0.240222D+01 -0.225512D+02 -0.126474D+01 -0.249307D+01  0.335809D+01
               171           172           173           174           175 
      1   0.194379D+00 -0.156901D+01  0.586290D+00 -0.955634D+00  0.118344D-01
      2   0.102657D+01  0.385919D+01  0.737179D+00  0.473578D+01  0.101624D+01
      3  -0.150922D+01  0.275032D+01 -0.270409D+01  0.690427D+00 -0.209464D+01
               176           177           178           179           180 
      1  -0.632654D+00  0.156167D+00 -0.180988D+01  0.302450D+01 -0.716053D+01
      2   0.139450D+01 -0.306746D+01  0.608445D+00  0.200409D+01  0.206251D+02
      3  -0.381039D+00 -0.212822D+01  0.209342D+01 -0.348427D+01  0.776868D+00
               181           182           183           184           185 
      1  -0.151959D+01  0.827797D+00 -0.145788D+00  0.345707D+00 -0.248537D+00
      2  -0.715394D+01  0.593320D+00 -0.346905D+01  0.211033D+01 -0.404076D+01
      3  -0.467560D+01  0.129459D+01 -0.202936D+00  0.390389D+01  0.189854D+00
               186           187           188           189           190 
      1  -0.599472D+00 -0.701958D+00  0.341391D+01 -0.108031D+01  0.132912D+00
      2   0.404819D+01 -0.720889D+01  0.389705D+01 -0.299336D+02 -0.266791D+01
      3   0.367265D+01 -0.605950D+00  0.481167D+01 -0.361633D+01 -0.634111D+01
               191           192           193           194           195 
      1   0.701580D-01 -0.639549D+00  0.244894D+00  0.337201D+00 -0.345576D+01
      2  -0.814506D+00  0.310974D+01 -0.164215D+01 -0.688938D+01  0.740299D+01
      3  -0.781040D+01  0.572280D+00 -0.127558D+02 -0.435295D+02  0.629162D+01
               196           197           198           199           200 
      1  -0.531950D+00  0.412256D+00  0.435488D+00 -0.664973D+00  0.471937D+00
      2   0.435139D+01  0.510455D+01 -0.131046D+01  0.704172D+01  0.181114D+00
      3   0.160766D+01  0.845144D+01 -0.429514D+01  0.261786D+01 -0.334581D+01
               201           202           203           204           205 
      1  -0.855756D+00  0.146362D+00 -0.469267D+00 -0.467846D+00 -0.114851D+01
      2   0.944417D+01 -0.929757D+00  0.306081D+01 -0.444177D+01  0.144823D+02
      3   0.507145D+00 -0.378497D+01 -0.735447D+00 -0.311472D+01  0.499230D+00
               206           207           208           209           210 
      1   0.310306D+01 -0.273069D+01  0.870826D+00 -0.986001D+00  0.223907D-01
      2  -0.139860D+01  0.376368D+02 -0.128275D+02  0.434352D+01  0.125892D+02
      3  -0.721607D+01  0.325563D+01  0.138769D+02 -0.118839D+02 -0.556090D+01
               211           212           213           214           215 
      1  -0.361938D+00  0.100467D+01 -0.652758D+00 -0.545146D+00  0.184573D+01
      2   0.657673D+01 -0.642571D+01 -0.887080D+01  0.137401D+02 -0.564343D+01
      3  -0.129050D+02  0.966962D+01  0.699038D+01 -0.720375D+01  0.981959D+01
               216           217           218           219           220 
      1   0.101968D+00 -0.363522D+01  0.171949D+01  0.458686D+01  0.276497D+01
      2  -0.101808D+02 -0.640250D+01  0.466780D+01  0.747603D+01  0.396390D+01
      3   0.673317D+01  0.481704D+01 -0.992063D+01 -0.149819D+01 -0.349755D+01
               221           222           223           224           225 
      1  -0.294284D+01 -0.455207D+01  0.398585D+01 -0.224143D+01 -0.375620D+01
      2  -0.653866D+01 -0.655333D+01  0.587381D+01 -0.780672D+01 -0.689115D+01
      3   0.113704D+02  0.433770D+01 -0.125063D+01  0.914345D+01  0.491202D+01
               226           227           228           229           230 
      1   0.147830D+01 -0.420126D-01  0.222917D+01 -0.472881D+00  0.155312D+01
      2   0.285564D+01 -0.952511D+00  0.450033D+01 -0.282560D+00  0.336597D+01
      3   0.341551D+01 -0.245298D+01  0.424509D-01  0.350335D+00  0.312438D+01
               231           232           233           234           235 
      1  -0.374281D+01  0.261910D+01 -0.110222D+01  0.130383D+02 -0.113222D+01
      2  -0.398713D+01  0.166187D+01 -0.839028D+01  0.231879D+02 -0.403491D+01
      3  -0.323451D+01 -0.125304D+01 -0.943728D+01  0.739859D+01  0.259337D+02
               236           237           238           239           240 
      1  -0.304305D+00 -0.248068D+01 -0.150958D+00 -0.740141D+00 -0.193309D+01
      2  -0.948013D+00 -0.123758D+01 -0.592690D+00 -0.155504D+01 -0.120440D+01
      3   0.980492D+01  0.357952D+01  0.101213D+02  0.627543D+01  0.222783D+01
               241           242           243           244           245 
      1  -0.194800D+01 -0.726196D-01 -0.415381D-01 -0.186040D+01  0.889585D+00
      2  -0.402669D+01 -0.249398D+01 -0.249513D+00  0.436552D+01  0.462499D+00
      3   0.320598D+01  0.326560D+01  0.400102D+01  0.389705D+01 -0.237455D+01
               246           247           248           249           250 
      1  -0.657989D+00  0.643355D+00 -0.282154D+01  0.576658D+00 -0.102928D+01
      2   0.326784D+01  0.146763D+01  0.403529D+01 -0.563325D+01  0.152623D+01
      3   0.111838D+01 -0.423589D+00  0.441454D+01 -0.466589D+01  0.104837D+00
               251           252           253           254           255 
      1   0.437428D+01 -0.241547D+01  0.367342D+01  0.135032D+01 -0.482725D+01
      2  -0.497471D+01  0.139267D+02 -0.553757D+01  0.446347D+01  0.122532D+02
      3  -0.611531D+01  0.558963D+01 -0.348701D+01 -0.142278D+02 -0.939918D+01
               256           257           258           259           260 
      1   0.302195D+01 -0.425259D-01  0.721177D+01 -0.264700D+01  0.124439D+02
      2   0.272172D+01  0.448992D+01 -0.883908D+01  0.886565D+01 -0.111466D+02
      3  -0.142747D+02 -0.981798D+01 -0.717866D+01 -0.820904D+01 -0.477779D+01
               261           262           263           264           265 
      1  -0.377064D+01 -0.253191D+01  0.967731D+00  0.289099D+01  0.210970D+01
      2  -0.883234D+00 -0.615162D+01  0.518463D+01  0.660016D+01  0.352314D+01
      3   0.140296D+02  0.525797D+01 -0.758056D+01 -0.241942D+01 -0.395684D+01
               266           267           268           269           270 
      1  -0.193447D+01 -0.242807D+01  0.344587D+01 -0.151837D+01 -0.463786D+01
      2  -0.491572D+01 -0.529072D+01  0.954207D+01 -0.941146D+01 -0.129858D+02
      3   0.896294D+01  0.317304D+01 -0.625382D+01  0.108269D+02  0.659471D+01
               271           272           273           274           275 
      1  -0.240512D+01 -0.106134D+01  0.401401D+01 -0.410850D+00 -0.448490D+00
      2   0.839810D+01 -0.506847D+01 -0.793914D+01 -0.243121D+01  0.501835D+01
      3  -0.845928D+01  0.730853D+01  0.752189D+01  0.546677D+01 -0.653239D+01
               276           277           278           279           280 
      1  -0.306045D+01  0.258441D+01 -0.473197D+00 -0.579133D+01  0.235501D+01
      2   0.516452D+01 -0.805332D+01  0.808191D+01  0.132020D+02 -0.197434D+01
      3  -0.520480D+01  0.652320D+01 -0.766875D+01 -0.109562D+02 -0.317807D+01
               281           282           283           284           285 
      1  -0.648381D+00  0.197873D+01 -0.550717D-01  0.651070D+01 -0.719895D+01
      2  -0.255252D+00 -0.136521D+01 -0.839221D+00 -0.507315D+01  0.544165D+01
      3   0.274342D+01 -0.138310D+01  0.288821D+01 -0.928597D+01  0.524530D+01
               286           287           288           289           290 
      1   0.150974D+01 -0.517550D+01  0.109545D+02 -0.136339D+01  0.191236D+01
      2  -0.287832D+01  0.551929D+01 -0.915042D+01 -0.201251D+01  0.236222D+00
      3  -0.312281D+01  0.100267D+02 -0.685197D+01  0.736205D+01 -0.596023D+01
               291           292           293           294           295 
      1  -0.320653D+01  0.708693D+00  0.607817D+00 -0.199739D+01 -0.237038D+01
      2   0.529926D+01 -0.213689D+00 -0.451018D+00  0.217998D+01  0.188004D+01
      3   0.126744D+01 -0.556536D+00 -0.155111D+01 -0.795234D-01  0.211376D+01
               296           297 
      1  -0.512670D+00 -0.125483D+01
      2   0.259755D+01  0.312164D+01
      3  -0.148830D+01 -0.952796D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.835378D+01 -0.119391D+02  0.217365D+02  0.141154D+02 -0.146596D+02
      2  -0.363173D+01  0.408413D+01 -0.246441D+01 -0.687475D+00  0.226526D+02
      3   0.119855D+02  0.785493D+01 -0.192721D+02 -0.134279D+02 -0.799304D+01
      4  -0.979122D+01 -0.601115D+01  0.858506D+01  0.210080D+01  0.660730D+00
      5   0.880919D+01  0.621304D+01  0.432789D+01  0.828013D+01  0.261253D+01
      6   0.561202D+01 -0.326047D+01  0.365048D+01  0.623831D+01 -0.188280D+00
                 6             7             8             9            10 
      1   0.320194D+01 -0.357738D+02 -0.139100D+02  0.753345D+01  0.543998D+02
      2  -0.536264D+01  0.119481D+02  0.724184D+01 -0.943821D+01 -0.210649D+02
      3   0.216070D+01  0.238256D+02  0.666814D+01  0.190477D+01 -0.333349D+02
      4   0.341278D+01 -0.391223D+01  0.661861D+00 -0.501534D+01  0.682880D+00
      5  -0.710121D+01  0.749019D+01 -0.651353D+01  0.242686D+01  0.336796D+01
      6   0.905300D+00 -0.109483D+02 -0.678285D+01  0.734841D+01  0.210133D+01
                11            12            13            14            15 
      1   0.273842D+00  0.478503D+01 -0.656611D+01 -0.582371D+01  0.842311D+01
      2   0.198880D+01 -0.500813D+01  0.415857D+01  0.634417D+01 -0.396043D+01
      3  -0.226264D+01  0.223097D+00  0.240754D+01 -0.520460D+00 -0.446268D+01
      4   0.219958D+01 -0.455088D+01  0.813513D+01  0.276085D+01  0.955699D+00
      5  -0.446729D+01  0.391510D+01  0.135237D+02  0.816257D-01  0.193315D+01
      6  -0.152917D+01  0.318858D+01  0.466982D+01  0.383542D+01  0.114606D+02
                16            17            18            19            20 
      1   0.748041D+01  0.107721D+02 -0.144178D+02  0.127339D+02  0.194372D+02
      2   0.349053D+01  0.523814D+01  0.346651D+01  0.312397D+01 -0.145681D+02
      3  -0.109709D+02 -0.160102D+02  0.109513D+02 -0.158578D+02 -0.486908D+01
      4   0.193438D+02  0.176015D+01 -0.982350D+00  0.335603D+01  0.351121D+01
      5  -0.923515D+01 -0.902977D-01  0.339609D+01 -0.138912D+02  0.195790D+01
      6   0.462883D+01  0.568929D+01 -0.472936D+01 -0.276403D+01  0.516190D+01
                21            22            23            24            25 
      1  -0.187596D+02 -0.107976D+02 -0.299691D+01 -0.157727D+02  0.150731D+02
      2   0.121842D+02  0.246051D+01  0.113132D+02 -0.569339D+01 -0.436006D+01
      3   0.657532D+01  0.833712D+01 -0.831630D+01  0.214661D+02 -0.107131D+02
      4   0.379872D-01  0.120950D+02 -0.640387D+01 -0.598970D+00  0.231722D+01
      5  -0.113158D+02 -0.267348D+01 -0.475361D+00 -0.551490D+00  0.816804D+01
      6  -0.709680D+01 -0.371579D+01 -0.281250D+01  0.702934D+00  0.126162D+02
                26            27            28            29            30 
      1  -0.672541D+01  0.717646D+00  0.972683D+01  0.350851D+01  0.266674D+00
      2  -0.153703D+01 -0.287302D+01 -0.162449D+01 -0.257755D+01 -0.299537D+01
      3   0.826245D+01  0.215537D+01 -0.810234D+01 -0.930962D+00  0.272870D+01
      4  -0.242289D+01  0.809161D+01  0.317901D+01  0.477686D+01 -0.187291D+01
      5   0.791385D+01 -0.605011D+01  0.720466D+01 -0.127001D+01  0.622777D+01
      6   0.206623D+01  0.124088D+02  0.735256D+01  0.311238D+01 -0.797158D+00
                31            32            33            34            35 
      1  -0.968464D+01 -0.785540D+01  0.977008D+01  0.115632D+01  0.125446D+02
      2  -0.136797D+01  0.274790D+01 -0.442225D+01  0.508646D+01  0.345317D+01
      3   0.110526D+02  0.510750D+01 -0.534783D+01 -0.624279D+01 -0.159978D+02
      4   0.863805D+01  0.304715D+01  0.274262D+01  0.212228D+02  0.282761D+01
      5   0.180994D+02  0.381642D+01  0.144550D+01 -0.635062D+01 -0.315003D+01
      6   0.374773D+01  0.516514D+01  0.102457D+02  0.236006D+01  0.578304D+01
                36            37            38            39            40 
      1  -0.164264D+02  0.293508D+01 -0.921853D+01  0.231202D+02  0.108374D+02
      2   0.398373D+01 -0.881915D+01  0.230830D+01 -0.497486D+01  0.111553D+01
      3   0.124427D+02  0.588407D+01  0.691023D+01 -0.181453D+02 -0.119529D+02
      4  -0.307365D+01 -0.128482D+02 -0.525683D+01  0.601124D+01  0.521005D+01
      5  -0.156319D+01  0.980237D+01  0.365695D+01  0.441347D+01  0.425542D+01
      6  -0.640806D+01  0.398816D+01 -0.373934D+01 -0.148040D+01  0.348564D+01
                41            42            43            44            45 
      1  -0.627276D+01 -0.486737D+00 -0.213118D+02 -0.117129D+02  0.100025D+02
      2   0.125993D+02 -0.201919D+01  0.361686D+01  0.292121D+01 -0.829838D+01
      3  -0.632655D+01  0.250592D+01  0.176949D+02  0.879173D+01 -0.170409D+01
      4   0.747520D+00  0.781819D+00 -0.775271D+01 -0.395127D+01 -0.582723D+01
      5   0.223472D+01 -0.801283D+01  0.911453D+01 -0.522529D+01  0.142692D+01
      6   0.201708D+01  0.239099D+01 -0.127624D+02 -0.449303D+01  0.771701D+01
                46            47            48            49            50 
      1  -0.476415D+01  0.119884D+02 -0.162117D+02 -0.217906D+02  0.215615D+01
      2   0.104688D+02 -0.642689D+01  0.986495D+01  0.821320D+01  0.444977D+01
      3  -0.570466D+01 -0.556148D+01  0.634678D+01  0.135774D+02 -0.660592D+01
      4   0.825609D+01  0.738477D+01 -0.135012D+01  0.133548D+02 -0.441485D+01
      5  -0.141771D+02  0.104165D+01 -0.903665D+01 -0.788828D+01 -0.266435D+00
      6   0.265615D+00  0.335220D+01 -0.573428D+01 -0.291321D+01  0.180113D+01
                51            52            53            54            55 
      1  -0.213590D+02  0.240164D+02 -0.599759D+01 -0.314778D+00 -0.542126D+02
      2   0.191793D+00 -0.667027D+01 -0.132650D+01  0.200739D+00  0.200943D+02
      3   0.211672D+02 -0.173461D+02  0.732409D+01  0.114039D+00  0.341183D+02
      4   0.274374D+00  0.233641D+01 -0.110909D+01  0.510827D+01  0.980785D+01
      5   0.829791D-01  0.581371D+01  0.486162D+01 -0.585775D+01  0.631387D+01
      6   0.402601D+01  0.858072D+01  0.335273D+01  0.155498D+02  0.118667D+01
                56            57            58            59            60 
      1   0.120918D+02  0.547132D+01  0.426483D+02 -0.108003D+02 -0.589020D+01
      2  -0.806476D+01 -0.819632D+00 -0.313707D+02 -0.116594D+02  0.125808D+01
      3  -0.402705D+01 -0.465169D+01 -0.112776D+02  0.224597D+02  0.463212D+01
      4  -0.167903D+02 -0.249024D+01 -0.337434D+02 -0.408093D+02  0.224027D+01
      5  -0.257538D+01 -0.773637D+01 -0.591164D+01  0.358151D+01  0.663984D+01
      6  -0.179530D+01 -0.910250D+00 -0.365189D+01 -0.156960D+01  0.172092D+01
                61            62            63            64            65 
      1   0.400346D+02 -0.831050D+01 -0.156499D+01 -0.264826D+02 -0.366654D+02
      2  -0.116198D+02  0.563084D+01  0.135449D+02  0.189670D+02  0.153267D+02
      3  -0.284148D+02  0.267965D+01 -0.119799D+02  0.751553D+01  0.213387D+02
      4  -0.746231D+01  0.119056D+02  0.244490D+01 -0.400370D+02  0.154530D+02
      5  -0.193560D+02  0.266313D+01 -0.396470D+02 -0.143032D+02  0.376707D+01
      6  -0.192028D+01  0.466261D+00 -0.583557D+01  0.181659D+01  0.175986D+01
                66            67            68            69            70 
      1  -0.114273D+02 -0.747388D+02  0.290902D+02  0.246714D-02 -0.442872D+02
      2   0.784718D+01  0.384521D+02 -0.178954D+02  0.135733D+00  0.183893D+02
      3   0.358015D+01  0.362867D+02 -0.111948D+02 -0.138200D+00  0.258979D+02
      4   0.346405D+01  0.261392D+02  0.395998D+02 -0.583889D+01  0.551775D+01
      5   0.160859D+02  0.592475D+01 -0.699484D+01 -0.130449D+02  0.326837D+02
      6  -0.328702D+00 -0.109463D+01  0.281514D+01 -0.769010D+00 -0.141912D+01
                71            72            73            74            75 
      1   0.171572D+01  0.277228D+02  0.353981D+02  0.438215D+02  0.258994D+02
      2  -0.107322D+01 -0.731591D+01 -0.163284D+02 -0.249519D+02 -0.119360D+02
      3  -0.642498D+00 -0.204069D+02 -0.190697D+02 -0.188697D+02 -0.139635D+02
      4  -0.115659D+02 -0.141754D+02  0.443985D+02 -0.191447D+02 -0.778886D+01
      5  -0.136554D+02  0.595210D+02  0.285606D+02 -0.866445D+01 -0.307326D+02
      6   0.503567D+01  0.487893D+00 -0.121834D+00  0.126256D+01 -0.248131D+00
                76            77            78            79            80 
      1   0.609031D+02 -0.283009D+02 -0.121174D+02  0.419059D+02 -0.105726D+02
      2  -0.363762D+02  0.577536D+01  0.763874D+01 -0.172788D+02  0.736835D+01
      3  -0.245269D+02  0.225256D+02  0.447864D+01 -0.246271D+02  0.320429D+01
      4  -0.362057D+02 -0.611180D+02  0.238339D+02 -0.946899D+01  0.241916D+02
      5  -0.117439D+02  0.262260D+02  0.180496D+02 -0.507922D+02  0.148006D+02
      6   0.374396D+01  0.375993D+01 -0.536960D+00  0.417171D+00 -0.125832D+01
                81            82            83            84            85 
      1  -0.409293D+02  0.393907D+02  0.282093D+02  0.204203D+02  0.326117D+02
      2   0.273117D+02 -0.302602D+02 -0.862574D+01 -0.793483D+01 -0.119761D+02
      3   0.136176D+02 -0.913055D+01 -0.195835D+02 -0.124854D+02 -0.206356D+02
      4   0.149988D+02  0.258537D+02 -0.263133D+02 -0.140951D+02 -0.299506D+02
      5  -0.550470D+02  0.204833D+02 -0.101311D+02 -0.152241D+02 -0.938688D+01
      6  -0.284235D+01 -0.130698D+02  0.356142D+01  0.853829D+01  0.506269D+01
                86            87            88            89            90 
      1  -0.286236D+02 -0.329299D+01  0.274415D+02 -0.691154D+01 -0.996864D+01
      2   0.230344D+02 -0.402671D+01 -0.802547D+01 -0.324859D+01  0.393535D+01
      3   0.558921D+01  0.731969D+01 -0.194160D+02  0.101601D+02  0.603329D+01
      4  -0.156556D+02  0.126011D+02 -0.151282D+02  0.211784D+02  0.299543D+02
      5   0.122358D+02  0.181546D+02 -0.241469D+02  0.256639D+02 -0.374537D+02
      6  -0.968794D+01 -0.879017D+01  0.116634D+02 -0.129954D+02  0.173186D+02
                91            92            93            94            95 
      1   0.775637D+01  0.160109D+02  0.887066D+01  0.173117D+02 -0.138337D+01
      2  -0.455675D+01 -0.121003D+02 -0.169303D+01 -0.187902D+02 -0.506108D+01
      3  -0.319962D+01 -0.391062D+01 -0.717762D+01  0.147850D+01  0.644446D+01
      4   0.116448D+02 -0.908251D+01 -0.289366D+01 -0.318174D+02 -0.228983D+02
      5   0.551759D+01 -0.300111D+01 -0.701500D+01 -0.162718D+02 -0.158854D+02
      6   0.896899D+00 -0.455695D+01 -0.179300D+01 -0.110046D+02 -0.100243D+02
                96            97            98            99           100 
      1  -0.649027D+01  0.224745D+02 -0.848022D+01 -0.947192D+01 -0.654904D+01
      2  -0.642625D+01 -0.833786D+01 -0.498342D+01  0.124153D+02  0.390761D+01
      3   0.129165D+02 -0.141366D+02  0.134636D+02 -0.294341D+01  0.264143D+01
      4  -0.152731D+02 -0.149769D+02 -0.621087D+01  0.194200D+02 -0.106900D+02
      5   0.136645D+02 -0.195854D+02  0.197744D+02 -0.149703D+02  0.131098D+02
      6  -0.844278D+01  0.171929D+01 -0.156807D+01  0.597130D+01  0.301301D+01
               101           102           103           104           105 
      1  -0.116104D+02  0.282071D+01 -0.198975D+02  0.846494D+00  0.203164D+02
      2   0.113772D+02 -0.690002D+01  0.206518D+02 -0.897755D+01 -0.187603D+02
      3   0.233179D+00  0.407931D+01 -0.754230D+00  0.813106D+01 -0.155607D+01
      4  -0.567272D+01  0.115343D+02 -0.738814D+01  0.815544D+01 -0.137422D+01
      5   0.120941D+02 -0.185559D+01  0.333648D+02 -0.114805D+01 -0.265834D+02
      6   0.376376D+01 -0.130816D+01 -0.176051D+01  0.441954D+01 -0.106631D+01
               106           107           108           109           110 
      1   0.243989D+02  0.157110D+02 -0.115821D+01  0.485626D+02  0.163795D+02
      2  -0.167463D+02 -0.946334D+01  0.954846D+01 -0.304329D+02 -0.991896D+01
      3  -0.765255D+01 -0.624763D+01 -0.839025D+01 -0.181298D+02 -0.646054D+01
      4   0.206403D+02  0.130021D+02 -0.222099D+02  0.202828D+02  0.196980D+02
      5  -0.112131D+02 -0.219198D+02  0.275602D+02 -0.357514D+02 -0.111541D+02
      6  -0.422247D+01 -0.424627D+01  0.407512D+01 -0.478688D+01 -0.425638D+01
               111           112           113           114           115 
      1  -0.242924D+02  0.314998D+02  0.736790D+01 -0.955805D+01 -0.422711D+02
      2   0.176409D+02 -0.181899D+02 -0.305873D+01  0.109650D+02  0.286782D+02
      3   0.665144D+01 -0.133099D+02 -0.430916D+01 -0.140699D+01  0.135929D+02
      4  -0.864171D+01  0.218944D+02  0.338917D+02 -0.163995D+02 -0.109561D+02
      5   0.235556D+02 -0.215941D+02 -0.170080D+02  0.248041D+02  0.431128D+02
      6   0.359060D+01 -0.516282D+01 -0.840073D+01  0.106628D+02  0.203198D+01
               116           117           118           119           120 
      1  -0.450064D+01  0.994257D+01  0.849067D+00 -0.565574D+01  0.154607D+02
      2   0.787962D+01 -0.291871D+02  0.206253D+01  0.165082D+01 -0.645071D+01
      3  -0.337898D+01  0.192446D+02 -0.291160D+01  0.400492D+01 -0.900994D+01
      4  -0.278873D+02  0.208960D+02  0.830075D+00 -0.379583D+01 -0.177438D+02
      5   0.206522D+02 -0.633669D+02  0.208458D+02 -0.141682D+02 -0.852306D+01
      6   0.122138D+02 -0.891611D+01 -0.867678D+01  0.695010D+01  0.444604D+01
               121           122           123           124           125 
      1  -0.100657D+02 -0.122538D+02 -0.131732D+02  0.293395D+02 -0.196712D+02
      2  -0.146620D+01  0.293547D+02  0.629810D+01 -0.104323D+02  0.433975D+01
      3   0.115319D+02 -0.171009D+02  0.687508D+01 -0.189073D+02  0.153315D+02
      4   0.150463D+02 -0.380065D+02  0.148501D+02 -0.334870D+02  0.320631D+02
      5  -0.168997D+02  0.165090D+02  0.433524D+01 -0.119144D+02  0.674536D+01
      6   0.642141D+01 -0.259076D+01  0.389331D+01  0.746436D+01  0.133894D+01
               126           127           128           129           130 
      1  -0.121767D+02  0.184299D+01 -0.367409D+01  0.186129D+01 -0.412134D+00
      2   0.570848D+01  0.470035D+00  0.520183D+01 -0.762010D+00  0.962221D+00
      3   0.646825D+01 -0.231302D+01 -0.152774D+01 -0.109928D+01 -0.550087D+00
      4   0.898921D+01  0.107126D+02  0.943588D+01 -0.692306D+01  0.846963D+01
      5   0.256098D+02 -0.124370D+02 -0.789808D+01  0.101448D+02 -0.100859D+02
      6  -0.101131D+02 -0.847098D+01 -0.760087D+01  0.777417D+01 -0.804361D+01
               131           132           133           134           135 
      1  -0.792169D+01  0.770244D+01  0.429980D+01  0.105321D+02 -0.125430D+02
      2   0.722351D+01 -0.254921D+01 -0.103647D+01 -0.689978D+01  0.205389D+01
      3   0.698179D+00 -0.515323D+01 -0.326333D+01 -0.363229D+01  0.104891D+02
      4   0.100786D+02 -0.715459D+01 -0.758448D+01 -0.774727D+01  0.799063D+01
      5  -0.861698D+01  0.102714D+02  0.108124D+02  0.914233D+01 -0.140748D+02
      6  -0.115741D+02  0.114536D+02  0.896074D+01  0.136476D+02 -0.153381D+02
               136           137           138           139           140 
      1  -0.279316D+01  0.186687D+01 -0.598025D+01  0.345983D+01 -0.726159D+01
      2  -0.337736D+01  0.383506D+00 -0.405393D+01  0.304372D+00  0.183750D+01
      3   0.617052D+01 -0.225038D+01  0.100342D+02 -0.376420D+01  0.542409D+01
      4  -0.473980D+01  0.389805D+01 -0.523990D+01  0.299391D+01 -0.325620D+01
      5   0.880856D+01 -0.365992D+01  0.112073D+02 -0.378967D+01  0.300536D+01
      6  -0.487177D+01  0.337127D+01 -0.518686D+01  0.356497D+01 -0.777322D+01
               141           142           143           144           145 
      1   0.125648D+02 -0.733621D+01  0.121046D+02 -0.269573D+02  0.271100D+01
      2   0.107136D+01 -0.215471D+01 -0.225790D+01 -0.597759D+01 -0.166241D+01
      3  -0.136361D+02  0.949092D+01 -0.984668D+01  0.329349D+02 -0.104860D+01
      4   0.408132D+01 -0.612824D+01  0.658681D+01 -0.946016D+01  0.507092D+01
      5  -0.457837D+01  0.104280D+02 -0.579746D+01  0.155609D+02 -0.900136D+01
      6   0.107941D+02 -0.773938D+01  0.130847D+02 -0.206860D+02 -0.366777D+01
               146           147           148           149           150 
      1  -0.160643D+01  0.131138D+01 -0.171332D+01 -0.517363D+01  0.593468D+01
      2   0.181880D+01  0.936902D+00  0.201601D+00  0.343836D+01 -0.229411D+00
      3  -0.212371D+00 -0.224829D+01  0.151171D+01  0.173527D+01 -0.570527D+01
      4   0.509313D+01 -0.289707D+01  0.474292D+01  0.545932D+01 -0.325980D+01
      5  -0.400204D+01  0.732803D+01 -0.657104D+01 -0.555645D+01  0.752748D+01
      6  -0.329598D+01  0.377426D+01 -0.407539D+01 -0.646412D+01  0.649878D+01
               151           152           153           154           155 
      1   0.295080D+01  0.656471D+01 -0.991219D+01 -0.804492D+00  0.204580D+00
      2   0.996023D+00 -0.293809D+01 -0.122169D+01 -0.420018D+01  0.130649D+01
      3  -0.394682D+01 -0.362662D+01  0.111339D+02  0.500467D+01 -0.151107D+01
      4  -0.436436D+01 -0.419541D+01  0.382049D+01 -0.334114D+01  0.285243D+01
      5   0.913642D+01  0.563763D+01 -0.113719D+02  0.743885D+01 -0.284708D+01
      6   0.525434D+01  0.786785D+01 -0.939975D+01 -0.194564D+01  0.201196D+01
               156           157           158           159           160 
      1  -0.391306D+01  0.269750D+01 -0.538258D+01  0.101000D+02 -0.284510D+01
      2  -0.498241D+01  0.146748D+00  0.577409D+00  0.233340D+01 -0.512467D+01
      3   0.889547D+01 -0.284425D+01  0.480517D+01 -0.124334D+02  0.796977D+01
      4  -0.323675D+01  0.232919D+01 -0.242443D+01  0.326332D+01 -0.481242D+01
      5   0.100046D+02 -0.292916D+01  0.285521D+01 -0.383843D+01  0.102638D+02
      6  -0.145323D+01  0.240709D+01 -0.480162D+01  0.601837D+01 -0.383014D+01
               161           162           163           164           165 
      1   0.717371D+01 -0.220573D+02  0.144473D+02  0.670524D+01 -0.203801D+01
      2   0.449340D+00 -0.100293D+02 -0.121620D+01  0.390507D+00  0.768992D+00
      3  -0.762305D+01  0.320866D+02 -0.132311D+02 -0.709575D+01  0.126902D+01
      4   0.502000D+01 -0.694421D+01  0.140827D+02  0.180770D+02  0.184448D+01
      5  -0.456520D+01  0.156470D+02 -0.149027D+01  0.229770D+01  0.366141D+01
      6   0.801057D+01 -0.111893D+02  0.791586D+00  0.163617D+01  0.839153D+00
               166           167           168           169           170 
      1   0.129334D+02 -0.104181D+02 -0.148749D+00 -0.153594D+02  0.614642D+00
      2   0.358797D+01  0.320664D+02  0.411992D+00  0.468405D+01 -0.330379D+01
      3  -0.165214D+02 -0.216482D+02 -0.263243D+00  0.106754D+02  0.268914D+01
      4   0.288059D+02  0.554424D+02  0.295716D+01 -0.342878D+01 -0.793415D+01
      5   0.343021D+01  0.179184D+01  0.529709D+01  0.517517D+01  0.552628D+01
      6   0.308137D+01  0.692006D+01  0.544897D+01  0.181854D+01  0.518128D+01
               171           172           173           174           175 
      1  -0.154616D+01  0.715871D+01 -0.219452D+01  0.567143D+01 -0.107532D+02
      2   0.103283D+01 -0.779989D+01  0.128293D+01 -0.552071D+01  0.660633D+01
      3   0.513326D+00  0.641177D+00  0.911596D+00 -0.150725D+00  0.414689D+01
      4   0.562327D+01 -0.120283D+01  0.472090D+01  0.242222D+01  0.479965D+01
      5   0.147712D+01  0.107704D+02  0.170195D+01  0.139382D+02 -0.229212D+01
      6   0.280689D-02  0.944792D+00  0.125404D+01  0.150025D+01  0.920367D+00
               176           177           178           179           180 
      1  -0.527883D+00 -0.353000D+00  0.113419D+02 -0.220232D+01 -0.117118D+02
      2   0.699168D+00  0.235957D+01 -0.118086D+02  0.655812D+00 -0.152337D+02
      3  -0.171284D+00 -0.200657D+01  0.466703D+00  0.154651D+01  0.269455D+02
      4   0.217195D+01  0.431724D+01  0.336601D+01  0.688189D+01  0.491757D+01
      5   0.444475D+01 -0.643611D+01  0.187300D+02  0.472918D+01  0.445457D+02
      6   0.295199D+00  0.377679D+01  0.350248D+01  0.574948D+01  0.106636D+02
               181           182           183           184           185 
      1  -0.296505D+01  0.673064D+01 -0.909028D+01  0.134046D+02 -0.784964D+01
      2  -0.190969D+01 -0.264012D+01  0.275584D+01 -0.659157D+01  0.371886D+01
      3   0.487475D+01 -0.409052D+01  0.633444D+01 -0.681308D+01  0.413078D+01
      4   0.712525D+01 -0.165277D+01 -0.633153D+00 -0.129457D+00 -0.843839D+00
      5  -0.658639D+01 -0.629462D+00 -0.832624D+00  0.592874D+00 -0.642801D+01
      6  -0.178787D+00  0.372420D-01 -0.157088D+00  0.465892D+00 -0.198269D+01
               186           187           188           189           190 
      1   0.180865D+01 -0.175442D+02  0.283432D-01 -0.201842D+02  0.129114D+02
      2   0.263662D+00  0.833391D+01  0.243940D+01 -0.881233D+01 -0.373167D+01
      3  -0.207231D+01  0.921028D+01 -0.246774D+01  0.289965D+02 -0.917974D+01
      4  -0.612627D+01 -0.890818D+00 -0.881820D+01  0.668783D+01  0.148265D+02
      5   0.680129D+01  0.132680D+01  0.662910D+01 -0.535171D+02 -0.562377D+01
      6   0.677179D+01 -0.169178D+00  0.369710D+01 -0.175273D+01 -0.124949D+01
               191           192           193           194           195 
      1   0.133983D+02 -0.536867D+01  0.342856D+02  0.205499D+02 -0.121770D+01
      2  -0.438099D+01  0.240472D+01 -0.117452D+02  0.698908D+01 -0.733773D+00
      3  -0.901731D+01  0.296395D+01 -0.225404D+02 -0.275390D+02  0.195148D+01
      4   0.197790D+02 -0.235165D+01  0.425518D+02  0.880238D+02 -0.127619D+02
      5  -0.237025D+01  0.635418D+01 -0.514410D+01 -0.142531D+02  0.140195D+02
      6  -0.565490D+00  0.562505D+00 -0.232757D+01 -0.455303D+01  0.596828D+01
               196           197           198           199           200 
      1  -0.123134D+02 -0.190205D+01  0.742174D+01  0.205797D+02 -0.414557D+01
      2   0.556373D+01 -0.756980D+00 -0.400392D+01 -0.134504D+02  0.257833D+01
      3   0.674963D+01  0.265903D+01 -0.341782D+01 -0.712934D+01  0.156724D+01
      4  -0.631458D+01 -0.164628D+02  0.983967D+01 -0.358703D+01  0.583585D+01
      5   0.133933D+02  0.106465D+02 -0.296243D+01  0.160623D+02  0.166786D+00
      6   0.214820D+01  0.596017D+01 -0.256056D+01  0.432947D+00  0.151099D-01
               201           202           203           204           205 
      1   0.147737D+02 -0.124977D+02  0.620314D+01 -0.136233D+01  0.414974D+02
      2  -0.927824D+01  0.744499D+01 -0.267803D+01  0.150982D+01 -0.263473D+02
      3  -0.549548D+01  0.505273D+01 -0.352511D+01 -0.147489D+00 -0.151501D+02
      4   0.391193D+00  0.111197D+02  0.250338D+01  0.684089D+01  0.243628D+01
      5   0.215977D+02 -0.341050D+01  0.639053D+01 -0.879723D+01  0.428950D+02
      6   0.105270D+01  0.142767D+01 -0.111573D+01  0.379450D+01  0.105109D+01
               206           207           208           209           210 
      1   0.246926D+01  0.253777D+02  0.922023D+02 -0.251596D+02 -0.290483D+02
      2  -0.872379D+00 -0.261322D+02 -0.482711D+02  0.130722D+02  0.160840D+02
      3  -0.159688D+01  0.754498D+00 -0.439312D+02  0.120874D+02  0.129643D+02
      4   0.134816D+02 -0.332045D+01 -0.256675D+02  0.205613D+02  0.940667D+01
      5  -0.244839D+01  0.756884D+02 -0.330354D+02  0.101317D+02  0.254617D+02
      6   0.429499D+01  0.319684D+01  0.147187D+01 -0.761371D+00 -0.226053D+00
               211           212           213           214           215 
      1  -0.571936D+02  0.221580D+02  0.136532D+02 -0.552929D+02  0.108813D+02
      2   0.293080D+02 -0.871557D+01 -0.778553D+01  0.304838D+02 -0.657932D+01
      3   0.278856D+02 -0.134424D+02 -0.586767D+01  0.248091D+02 -0.430195D+01
      4   0.295589D+02 -0.179428D+02 -0.134869D+02  0.130452D+02 -0.173382D+02
      5   0.178582D+02 -0.139098D+02 -0.175569D+02  0.371347D+02 -0.121378D+02
      6  -0.246546D+01  0.216969D+01  0.248023D+01 -0.160296D+01  0.289771D+01
               216           217           218           219           220 
      1   0.270861D+02  0.318612D+02 -0.173936D+02 -0.119547D+02 -0.158584D+02
      2  -0.184300D+02 -0.779526D+01 -0.158410D+01  0.375479D+01 -0.163198D+01
      3  -0.865608D+01 -0.240660D+02  0.189777D+02  0.819993D+01  0.174904D+02
      4  -0.115918D+02 -0.384290D+02  0.375136D+02  0.146484D+02  0.342007D+02
      5  -0.228579D+02 -0.180033D+02  0.117223D+02  0.156609D+02  0.109311D+02
      6   0.221716D+01  0.890506D+01 -0.708689D+01 -0.848241D+01 -0.718653D+01
               221           222           223           224           225 
      1   0.922630D+01  0.308293D+01 -0.192824D+02  0.524088D+01  0.721973D+01
      2   0.107256D+02  0.362998D+01  0.639806D+01  0.491775D+01 -0.255911D+01
      3  -0.199519D+02 -0.671291D+01  0.128843D+02 -0.101586D+02 -0.466062D+01
      4  -0.401848D+02 -0.164508D+02  0.231082D+02 -0.278399D+02 -0.202551D+02
      5  -0.152603D+02 -0.127097D+02  0.193974D+02 -0.178327D+02 -0.161774D+02
      6   0.107500D+02  0.948942D+01 -0.981919D+01  0.117362D+02  0.936217D+01
               226           227           228           229           230 
      1   0.284499D+01 -0.532694D+01  0.613965D+01 -0.311806D+01 -0.131698D+01
      2  -0.113957D+01  0.111917D+01 -0.395692D+01 -0.148291D+00  0.309556D+01
      3  -0.170542D+01  0.420777D+01 -0.218273D+01  0.326635D+01 -0.177858D+01
      4  -0.848664D+01  0.944429D+01 -0.436886D+01  0.775929D+01 -0.918144D+01
      5   0.811622D+01 -0.289624D+01  0.118624D+02 -0.143786D+01  0.764262D+01
      6  -0.275861D+01  0.134470D+01 -0.426614D+01  0.180574D+01 -0.529247D+01
               231           232           233           234           235 
      1   0.330474D+01  0.120286D+02  0.559709D+01 -0.410863D+01 -0.549999D+02
      2  -0.386516D+01 -0.676558D+01 -0.689922D+01 -0.486176D+01  0.312986D+02
      3   0.560422D+00 -0.526298D+01  0.130213D+01  0.897039D+01  0.237013D+02
      4   0.792356D+01 -0.102362D+02  0.198965D+02 -0.210929D+02  0.874858D+01
      5  -0.842231D+01  0.160630D+02 -0.184663D+02  0.485536D+02 -0.508555D+01
      6   0.100159D+02 -0.691368D+01  0.136753D+02 -0.257478D+02  0.450808D+01
               236           237           238           239           240 
      1  -0.201995D+02 -0.972023D+01 -0.143522D+02 -0.140255D+02 -0.317019D+01
      2   0.179842D+02  0.533347D+01  0.123672D+02  0.129975D+02  0.308429D+01
      3   0.221525D+01  0.438675D+01  0.198504D+01  0.102805D+01  0.858950D-01
      4  -0.788926D+01  0.187690D+01  0.998721D+00 -0.205772D+01 -0.152572D+01
      5  -0.731799D+00 -0.262601D+01 -0.806726D+00 -0.229572D+01 -0.294350D+01
      6   0.230638D+01  0.405748D+01  0.139951D+01  0.212467D+01  0.364409D+01
               241           242           243           244           245 
      1  -0.982283D+01 -0.464301D+01 -0.679829D+01  0.174727D+01 -0.563126D+01
      2   0.470174D+01  0.424150D+01  0.330649D+01 -0.567533D+01  0.404786D+01
      3   0.512110D+01  0.401506D+00  0.349181D+01  0.392806D+01  0.158340D+01
      4   0.187480D+01 -0.422647D+01 -0.429003D+01 -0.693946D+01  0.529866D+01
      5   0.814576D+00 -0.518064D+01  0.111312D+01  0.109053D+02 -0.296503D+01
      6   0.220958D+01  0.474585D+01  0.650815D+00 -0.356813D+01  0.127455D+01
               246           247           248           249           250 
      1   0.485562D+01 -0.833166D+01 -0.107600D+01  0.349639D+01  0.563377D+01
      2  -0.514615D+01  0.575636D+01 -0.155894D+01  0.331171D+01 -0.786855D+01
      3   0.290530D+00  0.257530D+01  0.263493D+01 -0.680810D+01  0.223478D+01
      4  -0.250653D+01  0.830975D+01 -0.911764D+01  0.951493D+01 -0.307451D+01
      5   0.118647D+02 -0.442965D+01  0.998283D+01 -0.135787D+02  0.174212D+02
      6  -0.100042D+01  0.297111D+01 -0.576613D+01  0.758572D+01 -0.186887D+01
               251           252           253           254           255 
      1   0.141413D+01 -0.547063D+01 -0.406207D+02 -0.329579D+02 -0.330607D+02
      2   0.504343D+01 -0.147971D+02  0.211066D+02  0.190321D+02  0.122031D+02
      3  -0.645756D+01  0.202677D+02  0.195141D+02  0.139258D+02  0.208576D+02
      4   0.117282D+02 -0.106433D+02 -0.422615D+02 -0.480570D+01 -0.112436D+02
      5  -0.105030D+02  0.347490D+02 -0.388068D+02 -0.721420D+01  0.184210D+01
      6   0.683030D+01 -0.629700D+01 -0.194295D+02  0.273957D+01  0.935464D+01
               256           257           258           259           260 
      1  -0.190788D+02 -0.177165D+01 -0.111603D+01 -0.314737D+02 -0.138343D+00
      2   0.192171D+02  0.123756D+02  0.142172D+02  0.123233D+02  0.129446D+02
      3  -0.138304D+00 -0.106040D+02 -0.131012D+02  0.191504D+02 -0.128063D+02
      4   0.127898D+02  0.264144D+02  0.147871D+02 -0.798992D+01  0.103435D+02
      5   0.172413D+00  0.155895D+02 -0.106504D+02  0.512286D+01 -0.160591D+02
      6   0.916520D+01  0.134313D+02 -0.644652D+01  0.796880D+01 -0.131411D+02
               261           262           263           264           265 
      1   0.225878D+02  0.318281D+02 -0.183797D+02 -0.144950D+02 -0.104328D+02
      2  -0.202312D+02 -0.131302D+02  0.586295D+01  0.650310D+01  0.116113D+01
      3  -0.235664D+01 -0.186979D+02  0.125167D+02  0.799188D+01  0.927168D+01
      4  -0.966242D+01 -0.306296D+02  0.252633D+02  0.142965D+02  0.202232D+02
      5   0.700350D+01 -0.196808D+02  0.127042D+02  0.158460D+02  0.894454D+01
      6  -0.361826D+01  0.827010D+01 -0.593824D+01 -0.560492D+01 -0.478062D+01
               266           267           268           269           270 
      1   0.726079D+01  0.351055D+01 -0.243646D+02  0.137943D+02  0.138825D+02
      2   0.287291D+01  0.445482D+00  0.115591D+02 -0.393375D+01 -0.804546D+01
      3  -0.101337D+02 -0.395603D+01  0.128056D+02 -0.986050D+01 -0.583704D+01
      4  -0.263485D+02 -0.112491D+02  0.297193D+02 -0.303943D+02 -0.237763D+02
      5  -0.102115D+02 -0.976078D+01  0.275916D+02 -0.216902D+02 -0.273977D+02
      6   0.706852D+01  0.567608D+01 -0.115257D+02  0.117325D+02  0.126150D+02
               271           272           273           274           275 
      1  -0.124764D+02  0.174911D+02  0.200380D+02  0.825801D+01 -0.151406D+02
      2   0.497406D+01 -0.124757D+02 -0.666971D+01 -0.602214D+01  0.117828D+02
      3   0.750238D+01 -0.501537D+01 -0.133682D+02 -0.223588D+01  0.335785D+01
      4  -0.114496D+01 -0.364397D+01  0.846592D+00  0.166715D+01  0.324337D+01
      5   0.311764D+01 -0.280336D+01 -0.513335D+01  0.143459D+00  0.321196D+01
      6   0.842202D+01 -0.105313D+02 -0.129668D+02 -0.461851D+01  0.110414D+02
               276           277           278           279           280 
      1  -0.111827D+02  0.166001D+02 -0.167125D+02 -0.274268D+02  0.162852D+01
      2   0.640225D+01 -0.604047D+01  0.878752D+01  0.595463D+01  0.119507D+01
      3   0.478044D+01 -0.105596D+02  0.792502D+01  0.214722D+02 -0.282359D+01
      4   0.262779D+01  0.573375D+01  0.740407D+01  0.600086D+01  0.465294D+01
      5   0.602431D+01  0.136623D+01  0.106664D+02  0.153636D+02 -0.835800D-01
      6   0.124765D+02 -0.582352D+01  0.175958D+02  0.222840D+02 -0.985230D+00
               281           282           283           284           285 
      1   0.830837D+01 -0.726478D+00  0.629014D+01 -0.113574D+02  0.456206D+01
      2  -0.707017D+01  0.157182D+01 -0.316356D+01  0.213460D+02 -0.119195D+02
      3  -0.123820D+01 -0.845346D+00 -0.312658D+01 -0.998858D+01  0.735742D+01
      4   0.951677D+00 -0.267932D+00  0.534331D+01  0.146009D+02 -0.808006D+01
      5   0.154652D+01 -0.891060D+00  0.584776D+00 -0.993396D+01  0.103695D+02
      6   0.245616D-01 -0.271123D+01 -0.370807D+00 -0.680189D+01  0.927524D+01
               286           287           288           289           290 
      1  -0.598652D+01  0.904202D+01 -0.845374D+01  0.763860D+02  0.186187D+02
      2   0.223040D+01 -0.194750D+02  0.123600D+02 -0.350310D+02 -0.207488D+01
      3   0.375612D+01  0.104330D+02 -0.390628D+01 -0.413549D+02 -0.165439D+02
      4  -0.681736D+01 -0.184784D+02  0.701769D+01  0.562495D+02  0.315172D+02
      5  -0.109919D+01  0.957384D+01 -0.177415D+02  0.421675D+02  0.148657D+02
      6  -0.200071D+01  0.784701D+01 -0.128416D+02  0.165659D+02  0.997804D+01
               291           292           293           294           295 
      1   0.171769D+02  0.938313D+01  0.786372D+01  0.164453D+01  0.152953D+02
      2  -0.106034D+02  0.698368D+00  0.529228D+00 -0.549974D+00 -0.101626D+02
      3  -0.657347D+01 -0.100815D+02 -0.839295D+01 -0.109456D+01 -0.513270D+01
      4   0.161485D+02  0.211174D+02  0.138276D+02  0.501844D+01  0.141242D+02
      5   0.219176D+02  0.716070D+01  0.603176D+01  0.514631D+01  0.213976D+02
      6   0.942292D+01  0.603807D+01  0.420332D+01  0.516982D+01  0.813516D+01
               296           297 
      1   0.257837D+01  0.657441D+01
      2  -0.161625D+01 -0.490512D+01
      3  -0.962117D+00 -0.166929D+01
      4   0.764971D+01  0.105194D+02
      5   0.957377D+01  0.138583D+02
      6   0.719110D+01  0.682460D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep 27 12:26:52 2021, MaxMem=  6442450944 cpu:           67346.3 elap:            8439.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.32385 -19.26653 -10.43582 -10.32316 -10.31288
 Alpha  occ. eigenvalues --  -10.30670 -10.30243 -10.30094 -10.29971 -10.29961
 Alpha  occ. eigenvalues --  -10.29883 -10.29432 -10.29270 -10.28380 -10.27983
 Alpha  occ. eigenvalues --   -1.22116  -1.12958  -0.97525  -0.92816  -0.90214
 Alpha  occ. eigenvalues --   -0.85172  -0.84737  -0.78503  -0.78271  -0.76935
 Alpha  occ. eigenvalues --   -0.71273  -0.69875  -0.66751  -0.65494  -0.60715
 Alpha  occ. eigenvalues --   -0.59662  -0.58122  -0.56755  -0.54997  -0.53961
 Alpha  occ. eigenvalues --   -0.53336  -0.52881  -0.51689  -0.50795  -0.50468
 Alpha  occ. eigenvalues --   -0.49572  -0.47529  -0.46847  -0.46363  -0.45284
 Alpha  occ. eigenvalues --   -0.44843  -0.44614  -0.43114  -0.42099  -0.41457
 Alpha  occ. eigenvalues --   -0.41263  -0.40607  -0.40248  -0.36899  -0.33382
 Alpha  occ. eigenvalues --   -0.31615
 Alpha virt. eigenvalues --    0.03331   0.03867   0.03986   0.04447   0.04799
 Alpha virt. eigenvalues --    0.04959   0.05073   0.05397   0.05844   0.06386
 Alpha virt. eigenvalues --    0.06941   0.07052   0.07387   0.07689   0.08353
 Alpha virt. eigenvalues --    0.08505   0.09151   0.09476   0.09818   0.10233
 Alpha virt. eigenvalues --    0.10819   0.11446   0.12190   0.12572   0.12854
 Alpha virt. eigenvalues --    0.13226   0.13360   0.13785   0.14041   0.14431
 Alpha virt. eigenvalues --    0.14636   0.15174   0.15499   0.15627   0.15683
 Alpha virt. eigenvalues --    0.16163   0.16301   0.16636   0.17213   0.17510
 Alpha virt. eigenvalues --    0.17806   0.18152   0.18456   0.18646   0.19089
 Alpha virt. eigenvalues --    0.19475   0.19617   0.19917   0.20412   0.20683
 Alpha virt. eigenvalues --    0.21349   0.21692   0.22064   0.22247   0.22582
 Alpha virt. eigenvalues --    0.22863   0.23335   0.23868   0.24327   0.24515
 Alpha virt. eigenvalues --    0.24826   0.25391   0.25601   0.26267   0.26427
 Alpha virt. eigenvalues --    0.26555   0.27240   0.27869   0.28202   0.28576
 Alpha virt. eigenvalues --    0.29050   0.29290   0.29377   0.29662   0.29931
 Alpha virt. eigenvalues --    0.30239   0.30710   0.30807   0.31169   0.31416
 Alpha virt. eigenvalues --    0.31883   0.32025   0.32465   0.32977   0.33349
 Alpha virt. eigenvalues --    0.33940   0.34329   0.34656   0.35123   0.35371
 Alpha virt. eigenvalues --    0.35571   0.35969   0.36807   0.36903   0.37204
 Alpha virt. eigenvalues --    0.37929   0.38377   0.39025   0.39573   0.39837
 Alpha virt. eigenvalues --    0.40349   0.40823   0.41491   0.41663   0.41983
 Alpha virt. eigenvalues --    0.42343   0.42569   0.42821   0.43070   0.43903
 Alpha virt. eigenvalues --    0.44003   0.44367   0.44854   0.45102   0.45349
 Alpha virt. eigenvalues --    0.45538   0.46086   0.46518   0.46961   0.47599
 Alpha virt. eigenvalues --    0.47714   0.48140   0.48761   0.49038   0.49920
 Alpha virt. eigenvalues --    0.50044   0.50296   0.50705   0.51491   0.52094
 Alpha virt. eigenvalues --    0.52569   0.53062   0.53436   0.54099   0.54574
 Alpha virt. eigenvalues --    0.54980   0.55136   0.55783   0.56501   0.56990
 Alpha virt. eigenvalues --    0.57238   0.57901   0.58098   0.58894   0.59205
 Alpha virt. eigenvalues --    0.59592   0.60208   0.60640   0.60899   0.61115
 Alpha virt. eigenvalues --    0.61737   0.62084   0.62700   0.62895   0.63596
 Alpha virt. eigenvalues --    0.63844   0.64141   0.64553   0.64773   0.65561
 Alpha virt. eigenvalues --    0.66000   0.66271   0.66810   0.67207   0.67425
 Alpha virt. eigenvalues --    0.67944   0.68496   0.68690   0.69205   0.69666
 Alpha virt. eigenvalues --    0.69846   0.70322   0.70994   0.71495   0.72026
 Alpha virt. eigenvalues --    0.72325   0.72462   0.72655   0.73799   0.74055
 Alpha virt. eigenvalues --    0.74536   0.74640   0.74981   0.75504   0.75793
 Alpha virt. eigenvalues --    0.76275   0.76764   0.77740   0.78081   0.78355
 Alpha virt. eigenvalues --    0.78959   0.79103   0.79700   0.79860   0.80255
 Alpha virt. eigenvalues --    0.81531   0.81625   0.82559   0.82760   0.83266
 Alpha virt. eigenvalues --    0.83881   0.84556   0.85608   0.85766   0.86229
 Alpha virt. eigenvalues --    0.86283   0.87044   0.87307   0.87489   0.88211
 Alpha virt. eigenvalues --    0.89007   0.89886   0.90163   0.90479   0.90863
 Alpha virt. eigenvalues --    0.91605   0.92186   0.92456   0.93001   0.94743
 Alpha virt. eigenvalues --    0.95105   0.95294   0.95859   0.96422   0.96963
 Alpha virt. eigenvalues --    0.97447   0.98074   0.98907   0.99709   1.01158
 Alpha virt. eigenvalues --    1.02778   1.03179   1.03276   1.04603   1.04892
 Alpha virt. eigenvalues --    1.06138   1.06955   1.07333   1.07737   1.09034
 Alpha virt. eigenvalues --    1.09958   1.10566   1.11701   1.12712   1.14076
 Alpha virt. eigenvalues --    1.14555   1.15268   1.16168   1.16516   1.17761
 Alpha virt. eigenvalues --    1.18353   1.19619   1.19855   1.21737   1.22618
 Alpha virt. eigenvalues --    1.23331   1.24868   1.25774   1.26216   1.26394
 Alpha virt. eigenvalues --    1.27449   1.28147   1.29349   1.29903   1.31244
 Alpha virt. eigenvalues --    1.32697   1.34276   1.34812   1.36858   1.38271
 Alpha virt. eigenvalues --    1.39754   1.41684   1.42096   1.43457   1.44387
 Alpha virt. eigenvalues --    1.45468   1.45617   1.46378   1.46652   1.48418
 Alpha virt. eigenvalues --    1.49568   1.51514   1.52535   1.53398   1.54152
 Alpha virt. eigenvalues --    1.54577   1.55189   1.56058   1.56519   1.57357
 Alpha virt. eigenvalues --    1.57583   1.59408   1.59709   1.61361   1.61872
 Alpha virt. eigenvalues --    1.62987   1.63471   1.64303   1.65343   1.66345
 Alpha virt. eigenvalues --    1.66779   1.67121   1.68572   1.69524   1.70532
 Alpha virt. eigenvalues --    1.71330   1.72051   1.73138   1.73998   1.74860
 Alpha virt. eigenvalues --    1.75584   1.76298   1.77405   1.77731   1.78494
 Alpha virt. eigenvalues --    1.79335   1.79688   1.80325   1.81406   1.81877
 Alpha virt. eigenvalues --    1.82332   1.83675   1.84059   1.84530   1.85636
 Alpha virt. eigenvalues --    1.87878   1.88373   1.88667   1.90198   1.91131
 Alpha virt. eigenvalues --    1.92520   1.93091   1.93795   1.94587   1.96294
 Alpha virt. eigenvalues --    1.96481   1.96925   1.98123   1.98791   1.99183
 Alpha virt. eigenvalues --    1.99802   2.00741   2.01407   2.01613   2.02949
 Alpha virt. eigenvalues --    2.03177   2.04358   2.05631   2.06998   2.07115
 Alpha virt. eigenvalues --    2.07896   2.09036   2.09722   2.10540   2.11296
 Alpha virt. eigenvalues --    2.13005   2.13391   2.14976   2.15600   2.15948
 Alpha virt. eigenvalues --    2.16970   2.18124   2.19359   2.19990   2.20357
 Alpha virt. eigenvalues --    2.21694   2.22690   2.23090   2.23923   2.25355
 Alpha virt. eigenvalues --    2.25616   2.26974   2.27583   2.28472   2.30837
 Alpha virt. eigenvalues --    2.30971   2.31562   2.33450   2.34698   2.34853
 Alpha virt. eigenvalues --    2.36535   2.37473   2.38562   2.39778   2.39953
 Alpha virt. eigenvalues --    2.40726   2.42258   2.42834   2.44579   2.46267
 Alpha virt. eigenvalues --    2.47325   2.48449   2.49779   2.52495   2.54038
 Alpha virt. eigenvalues --    2.54810   2.56475   2.57191   2.58030   2.59047
 Alpha virt. eigenvalues --    2.61745   2.62587   2.64148   2.64790   2.66873
 Alpha virt. eigenvalues --    2.68716   2.69449   2.69627   2.70507   2.73496
 Alpha virt. eigenvalues --    2.76755   2.78523   2.79073   2.80363   2.81618
 Alpha virt. eigenvalues --    2.84102   2.85826   2.88133   2.90454   2.90994
 Alpha virt. eigenvalues --    2.93072   2.95239   2.96852   2.98352   2.99349
 Alpha virt. eigenvalues --    3.03660   3.11617   3.15278   3.17257   3.18979
 Alpha virt. eigenvalues --    3.21366   3.27920   3.36147   3.41030   3.43868
 Alpha virt. eigenvalues --    3.45930   3.51346   3.51754   3.53544   3.55153
 Alpha virt. eigenvalues --    3.59061   3.62209   3.66237   3.72701   3.78438
 Alpha virt. eigenvalues --    3.82013   3.92813   3.99134   4.10773   4.86156
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   28.643183  -4.105203  -6.213517  -1.522216  -5.676665  -3.688185
     2  C   -4.105203  25.407481  -1.665172  -7.492976   5.042047 -12.073204
     3  C   -6.213517  -1.665172  29.595054  -4.833999  -4.398805  -5.522416
     4  C   -1.522216  -7.492976  -4.833999  27.860395 -10.937384   4.640055
     5  C   -5.676665   5.042047  -4.398805 -10.937384  39.551274 -13.113490
     6  C   -3.688185 -12.073204  -5.522416   4.640055 -13.113490  38.494694
     7  C    0.230980  -1.582623  -0.607448  -0.461664  -0.284053  -1.401467
     8  C   -0.244419   0.419996  -0.074769  -0.104470  -0.140955  -0.278548
     9  C    0.038121   0.048974   0.109354   0.002461  -0.011220  -0.197834
    10  C   -0.182955  -0.269690  -0.249344   0.085579  -0.051761   0.578800
    11  C   -0.287375  -0.097953   0.382002  -4.805957  -0.454773   0.045919
    12  C   -0.170505  -0.007227  -0.132651   0.815595  -0.826586   0.129794
    13  O    0.004125  -0.001957  -0.002429  -0.065620   0.139899  -0.053549
    14  O    0.015326   0.013513  -0.010466   0.018007   0.109180  -0.047313
    15  H   -2.559210   0.262794   1.724754   0.161279  -0.117836  -0.151024
    16  H    1.440144   0.075052  -3.055149   0.703863   0.049128  -0.206431
    17  H    0.043737  -1.166452   0.458684   2.183696  -4.895353   1.814660
    18  H    0.528014   2.999094   0.123418  -1.335172   1.433557  -4.877538
    19  H    0.351160  -0.193993   0.207354   0.059290  -0.063722  -0.207840
    20  H   -0.601333  -0.572960  -0.253321   0.159350   0.233208   1.115928
    21  H    0.102638  -0.194369   0.073512   0.028427   0.069057   0.037839
    22  H    0.002936   0.176120   0.012503   0.013491  -0.009345   0.004569
    23  H    0.038769   0.040244   0.011995  -0.004124   0.019621  -0.038865
    24  H   -0.029580  -0.102874  -0.006871  -0.005124  -0.005591   0.010717
    25  H    0.009642   0.063104   0.005460  -0.005901   0.011822  -0.091518
    26  H   -0.024119  -0.067932  -0.012144   0.026715   0.028689   0.182816
    27  H    0.014877   0.028161   0.073810  -0.038291  -0.009587  -0.101686
    28  H   -0.074127   0.014058   0.013479   0.668095  -0.056666  -0.039318
    29  C    0.018330  -0.125879   0.231598  -0.622253  -0.604451   0.092983
    30  H   -0.001139  -0.000699  -0.004733   0.028306  -0.027853   0.007980
    31  H    0.031533  -0.042370   0.155557  -0.631554   0.048740   0.007734
    32  H    0.054562  -0.072797   0.138449   0.017750  -0.375626  -0.021020
    33  H   -0.029198   0.043919  -0.222045   0.832373   0.139224  -0.010386
               7          8          9         10         11         12
     1  C    0.230980  -0.244419   0.038121  -0.182955  -0.287375  -0.170505
     2  C   -1.582623   0.419996   0.048974  -0.269690  -0.097953  -0.007227
     3  C   -0.607448  -0.074769   0.109354  -0.249344   0.382002  -0.132651
     4  C   -0.461664  -0.104470   0.002461   0.085579  -4.805957   0.815595
     5  C   -0.284053  -0.140955  -0.011220  -0.051761  -0.454773  -0.826586
     6  C   -1.401467  -0.278548  -0.197834   0.578800   0.045919   0.129794
     7  C   11.469062  -0.757749   0.058885   0.204854  -0.292381  -0.015849
     8  C   -0.757749   8.925518  -0.064624  -0.309254   0.035401  -0.005107
     9  C    0.058885  -0.064624   4.984419  -0.260162  -0.001358   0.000381
    10  C    0.204854  -0.309254  -0.260162   4.772617  -0.022324   0.002940
    11  C   -0.292381   0.035401  -0.001358  -0.022324  14.285477  -2.244416
    12  C   -0.015849  -0.005107   0.000381   0.002940  -2.244416   7.489010
    13  O   -0.001005  -0.000001   0.000008  -0.000027   0.051341   0.091612
    14  O    0.001629  -0.000016   0.000002  -0.000097   0.066693  -0.254468
    15  H   -0.427415   0.019063   0.037614  -0.034368   0.104562   0.006088
    16  H    0.126483  -0.017730  -0.001528   0.003580  -0.038910  -0.028963
    17  H    0.095894  -0.005640   0.000547   0.004239  -0.040962   0.148297
    18  H   -0.075989   0.058730   0.014319  -0.057982  -0.013224   0.003370
    19  H   -0.632685   0.138149  -0.057515   0.026903  -0.009141   0.000371
    20  H   -0.748316   0.054756  -0.104045   0.008609  -0.000863  -0.002069
    21  H    0.008471  -1.419032  -0.138039   0.172290   0.003186  -0.000044
    22  H   -0.204465   0.218227   0.145215  -0.055056   0.001308   0.000124
    23  H   -0.006102  -0.231036   0.399942  -0.079442  -0.000153   0.000097
    24  H    0.072677   0.244016   0.057009   0.058900  -0.000508  -0.000085
    25  H    0.081589  -0.067876   0.088453   0.109141   0.000520   0.000344
    26  H   -0.276410   0.000522  -0.078354   0.211446  -0.000933   0.000136
    27  H   -0.062266   0.330115  -0.112182   0.169977  -0.004041  -0.000279
    28  H   -0.008399   0.002268  -0.000013  -0.000405  -1.537607   0.203034
    29  C   -0.056230   0.004192   0.000209  -0.002710   0.702531  -0.013113
    30  H   -0.000274   0.000041   0.000011   0.000031   0.025311  -0.066616
    31  H   -0.011797   0.002434   0.000220  -0.000574   0.619832  -0.107226
    32  H   -0.009413   0.001133  -0.000101  -0.000025  -0.260737   0.047803
    33  H    0.001514  -0.000501  -0.000020   0.000023  -0.477890   0.023792
              13         14         15         16         17         18
     1  C    0.004125   0.015326  -2.559210   1.440144   0.043737   0.528014
     2  C   -0.001957   0.013513   0.262794   0.075052  -1.166452   2.999094
     3  C   -0.002429  -0.010466   1.724754  -3.055149   0.458684   0.123418
     4  C   -0.065620   0.018007   0.161279   0.703863   2.183696  -1.335172
     5  C    0.139899   0.109180  -0.117836   0.049128  -4.895353   1.433557
     6  C   -0.053549  -0.047313  -0.151024  -0.206431   1.814660  -4.877538
     7  C   -0.001005   0.001629  -0.427415   0.126483   0.095894  -0.075989
     8  C   -0.000001  -0.000016   0.019063  -0.017730  -0.005640   0.058730
     9  C    0.000008   0.000002   0.037614  -0.001528   0.000547   0.014319
    10  C   -0.000027  -0.000097  -0.034368   0.003580   0.004239  -0.057982
    11  C    0.051341   0.066693   0.104562  -0.038910  -0.040962  -0.013224
    12  C    0.091612  -0.254468   0.006088  -0.028963   0.148297   0.003370
    13  O    8.428863  -0.004292  -0.000135   0.003209  -0.041186   0.000104
    14  O   -0.004292   8.371306   0.000011   0.012212  -0.016817  -0.001099
    15  H   -0.000135   0.000011   3.351868  -0.337085   0.008025  -0.031828
    16  H    0.003209   0.012212  -0.337085   3.374007  -0.035078   0.008435
    17  H   -0.041186  -0.016817   0.008025  -0.035078   3.873115  -0.361196
    18  H    0.000104  -0.001099  -0.031828   0.008435  -0.361196   3.744056
    19  H    0.000008  -0.000178  -0.064140   0.013741  -0.003433   0.029332
    20  H   -0.000145   0.000241   0.021963  -0.005578   0.004350  -0.134543
    21  H   -0.000018   0.000015  -0.058529   0.002795   0.001639   0.000238
    22  H   -0.000001   0.000001   0.014176  -0.000564   0.000018  -0.000298
    23  H    0.000002   0.000000   0.002449  -0.000118   0.000131   0.008531
    24  H    0.000002   0.000001  -0.004264   0.000235  -0.000052  -0.002085
    25  H   -0.000013  -0.000019   0.000691  -0.000531   0.000117   0.002627
    26  H    0.000011   0.000008  -0.007041   0.000704  -0.000515  -0.010139
    27  H   -0.000030   0.000146   0.006903   0.001765  -0.000757  -0.007908
    28  H   -0.001117  -0.039431   0.004164  -0.168250  -0.016061   0.001580
    29  C   -0.003159   0.000270   0.004903   0.018278   0.025844   0.015006
    30  H   -0.036778   0.304613  -0.000010  -0.000739   0.001792   0.000063
    31  H    0.016821   0.006767   0.002737  -0.009581   0.013037  -0.002064
    32  H    0.010218  -0.009207  -0.001620   0.008195  -0.077249   0.006709
    33  H    0.002627   0.002481   0.000573   0.001940   0.015164  -0.001529
              19         20         21         22         23         24
     1  C    0.351160  -0.601333   0.102638   0.002936   0.038769  -0.029580
     2  C   -0.193993  -0.572960  -0.194369   0.176120   0.040244  -0.102874
     3  C    0.207354  -0.253321   0.073512   0.012503   0.011995  -0.006871
     4  C    0.059290   0.159350   0.028427   0.013491  -0.004124  -0.005124
     5  C   -0.063722   0.233208   0.069057  -0.009345   0.019621  -0.005591
     6  C   -0.207840   1.115928   0.037839   0.004569  -0.038865   0.010717
     7  C   -0.632685  -0.748316   0.008471  -0.204465  -0.006102   0.072677
     8  C    0.138149   0.054756  -1.419032   0.218227  -0.231036   0.244016
     9  C   -0.057515  -0.104045  -0.138039   0.145215   0.399942   0.057009
    10  C    0.026903   0.008609   0.172290  -0.055056  -0.079442   0.058900
    11  C   -0.009141  -0.000863   0.003186   0.001308  -0.000153  -0.000508
    12  C    0.000371  -0.002069  -0.000044   0.000124   0.000097  -0.000085
    13  O    0.000008  -0.000145  -0.000018  -0.000001   0.000002   0.000002
    14  O   -0.000178   0.000241   0.000015   0.000001   0.000000   0.000001
    15  H   -0.064140   0.021963  -0.058529   0.014176   0.002449  -0.004264
    16  H    0.013741  -0.005578   0.002795  -0.000564  -0.000118   0.000235
    17  H   -0.003433   0.004350   0.001639   0.000018   0.000131  -0.000052
    18  H    0.029332  -0.134543   0.000238  -0.000298   0.008531  -0.002085
    19  H    2.396444  -0.423034   0.003362  -0.066006  -0.014626   0.027399
    20  H   -0.423034   2.713236   0.100183   0.009855  -0.047696   0.012700
    21  H    0.003362   0.100183   2.892632  -0.087486   0.115520  -0.095420
    22  H   -0.066006   0.009855  -0.087486   1.699479  -0.262667  -0.428193
    23  H   -0.014626  -0.047696   0.115520  -0.262667   1.566000  -0.376457
    24  H    0.027399   0.012700  -0.095420  -0.428193  -0.376457   1.787026
    25  H   -0.010584   0.009003  -0.055642   0.028494  -0.014887  -0.026736
    26  H    0.010415   0.027332   0.128825  -0.001511   0.007096  -0.021849
    27  H    0.027756  -0.018640  -0.069316  -0.021823   0.003153   0.021108
    28  H   -0.000914   0.000055  -0.000491   0.000024   0.000041  -0.000040
    29  C    0.000312  -0.003610   0.001065   0.000126   0.000099  -0.000107
    30  H    0.000037  -0.000048  -0.000015   0.000004  -0.000001   0.000000
    31  H   -0.000461  -0.000194  -0.000070   0.000080  -0.000018  -0.000010
    32  H    0.000069  -0.000875   0.000088   0.000009  -0.000017  -0.000003
    33  H    0.000208   0.000070   0.000092   0.000001   0.000010  -0.000014
              25         26         27         28         29         30
     1  C    0.009642  -0.024119   0.014877  -0.074127   0.018330  -0.001139
     2  C    0.063104  -0.067932   0.028161   0.014058  -0.125879  -0.000699
     3  C    0.005460  -0.012144   0.073810   0.013479   0.231598  -0.004733
     4  C   -0.005901   0.026715  -0.038291   0.668095  -0.622253   0.028306
     5  C    0.011822   0.028689  -0.009587  -0.056666  -0.604451  -0.027853
     6  C   -0.091518   0.182816  -0.101686  -0.039318   0.092983   0.007980
     7  C    0.081589  -0.276410  -0.062266  -0.008399  -0.056230  -0.000274
     8  C   -0.067876   0.000522   0.330115   0.002268   0.004192   0.000041
     9  C    0.088453  -0.078354  -0.112182  -0.000013   0.000209   0.000011
    10  C    0.109141   0.211446   0.169977  -0.000405  -0.002710   0.000031
    11  C    0.000520  -0.000933  -0.004041  -1.537607   0.702531   0.025311
    12  C    0.000344   0.000136  -0.000279   0.203034  -0.013113  -0.066616
    13  O   -0.000013   0.000011  -0.000030  -0.001117  -0.003159  -0.036778
    14  O   -0.000019   0.000008   0.000146  -0.039431   0.000270   0.304613
    15  H    0.000691  -0.007041   0.006903   0.004164   0.004903  -0.000010
    16  H   -0.000531   0.000704   0.001765  -0.168250   0.018278  -0.000739
    17  H    0.000117  -0.000515  -0.000757  -0.016061   0.025844   0.001792
    18  H    0.002627  -0.010139  -0.007908   0.001580   0.015006   0.000063
    19  H   -0.010584   0.010415   0.027756  -0.000914   0.000312   0.000037
    20  H    0.009003   0.027332  -0.018640   0.000055  -0.003610  -0.000048
    21  H   -0.055642   0.128825  -0.069316  -0.000491   0.001065  -0.000015
    22  H    0.028494  -0.001511  -0.021823   0.000024   0.000126   0.000004
    23  H   -0.014887   0.007096   0.003153   0.000041   0.000099  -0.000001
    24  H   -0.026736  -0.021849   0.021108  -0.000040  -0.000107   0.000000
    25  H    2.028268  -0.392027  -0.521263   0.000233   0.000351   0.000004
    26  H   -0.392027   1.681568  -0.276046  -0.000198   0.000353  -0.000002
    27  H   -0.521263  -0.276046   1.826913  -0.000726  -0.003277  -0.000011
    28  H    0.000233  -0.000198  -0.000726   2.500366   0.045599   0.006056
    29  C    0.000351   0.000353  -0.003277   0.045599   4.782117   0.010509
    30  H    0.000004  -0.000002  -0.000011   0.006056   0.010509   0.577121
    31  H   -0.000006   0.000062  -0.002124  -0.025579   0.100730  -0.000860
    32  H   -0.000039  -0.000026  -0.001366   0.081111   0.614870   0.003373
    33  H    0.000044   0.000089   0.000279   0.007167  -0.251132   0.000549
              31         32         33
     1  C    0.031533   0.054562  -0.029198
     2  C   -0.042370  -0.072797   0.043919
     3  C    0.155557   0.138449  -0.222045
     4  C   -0.631554   0.017750   0.832373
     5  C    0.048740  -0.375626   0.139224
     6  C    0.007734  -0.021020  -0.010386
     7  C   -0.011797  -0.009413   0.001514
     8  C    0.002434   0.001133  -0.000501
     9  C    0.000220  -0.000101  -0.000020
    10  C   -0.000574  -0.000025   0.000023
    11  C    0.619832  -0.260737  -0.477890
    12  C   -0.107226   0.047803   0.023792
    13  O    0.016821   0.010218   0.002627
    14  O    0.006767  -0.009207   0.002481
    15  H    0.002737  -0.001620   0.000573
    16  H   -0.009581   0.008195   0.001940
    17  H    0.013037  -0.077249   0.015164
    18  H   -0.002064   0.006709  -0.001529
    19  H   -0.000461   0.000069   0.000208
    20  H   -0.000194  -0.000875   0.000070
    21  H   -0.000070   0.000088   0.000092
    22  H    0.000080   0.000009   0.000001
    23  H   -0.000018  -0.000017   0.000010
    24  H   -0.000010  -0.000003  -0.000014
    25  H   -0.000006  -0.000039   0.000044
    26  H    0.000062  -0.000026   0.000089
    27  H   -0.002124  -0.001366   0.000279
    28  H   -0.025579   0.081111   0.007167
    29  C    0.100730   0.614870  -0.251132
    30  H   -0.000860   0.003373   0.000549
    31  H    1.666363  -0.298526  -0.348025
    32  H   -0.298526   1.639708  -0.325039
    33  H   -0.348025  -0.325039   1.838111
 Mulliken charges:
               1
     1  C   -0.158332
     2  C    1.201770
     3  C   -0.051705
     4  C    0.561977
     5  C    1.186277
     6  C    0.957142
     7  C    1.571962
     8  C   -0.732836
     9  C    1.040853
    10  C    1.166250
    11  C    0.267423
    12  C    0.912415
    13  O   -0.537389
    14  O   -0.539020
    15  H   -0.940111
    16  H   -0.937533
    17  H   -1.032233
    18  H   -1.064591
    19  H   -0.544037
    20  H   -0.553568
    21  H   -0.623403
    22  H   -0.189344
    23  H   -0.137490
    24  H   -0.185927
    25  H   -0.252863
    26  H   -0.137538
    27  H   -0.253346
    28  H   -0.577989
    29  C    1.015649
    30  H    0.173977
    31  H   -0.191609
    32  H   -0.170359
    33  H   -0.244469
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -1.098443
     2  C    1.201770
     3  C   -0.989239
     4  C    0.561977
     5  C    0.154044
     6  C   -0.107449
     7  C    0.474358
     8  C   -1.356239
     9  C    0.528092
    10  C    0.522503
    11  C   -0.310567
    12  C    0.912415
    13  O   -0.537389
    14  O   -0.365043
    29  C    0.409212
 Electronic spatial extent (au):  <R**2>=           4747.9566
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.1206    Y=             -0.8193    Z=              1.2144  Tot=              1.8444
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -90.2046   YY=            -91.5742   ZZ=            -89.7933
   XY=             -3.7970   XZ=              4.5110   YZ=              1.4439
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.3195   YY=             -1.0502   ZZ=              0.7307
   XY=             -3.7970   XZ=              4.5110   YZ=              1.4439
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             27.2210  YYY=             -7.1956  ZZZ=             -0.9690  XYY=             16.4688
  XXY=            -31.4262  XXZ=             15.1592  XZZ=              4.3040  YZZ=             -6.1508
  YYZ=             -3.6782  XYZ=             18.3257
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5230.4250 YYYY=           -637.5607 ZZZZ=           -480.5259 XXXY=           -180.2775
 XXXZ=              8.6855 YYYX=            -24.3068 YYYZ=              9.6045 ZZZX=              5.5649
 ZZZY=             -9.0093 XXYY=           -934.6019 XXZZ=           -962.1957 YYZZ=           -176.1908
 XXYZ=             82.1715 YYXZ=            -37.5924 ZZXY=            -28.5834
 N-N= 9.705597773679D+02 E-N=-3.468263672791D+03  KE= 6.526019966739D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep 27 12:26:53 2021, MaxMem=  6442450944 cpu:               2.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.18087615D-01-3.41454671D-01 4.50648749D-01
 Polarizability= 2.08367578D+02 9.31197296D+00 1.34084396D+02
                 3.07554708D+00-9.21755552D+00 1.37122516D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.7228   -1.7223        4.9811    4.9825
 2      1.7228    1.7223        4.7913    4.7908      -38.9774  -38.9768
 3     -4.9811   -4.9825       37.4339   37.4325       -4.7908   -4.7908
 4     -4.7913   -4.7908        0.0000    0.0000       -4.9837   -4.9825
 5      1.5435    1.5443        4.9837    4.9825       -1.7237   -1.7223
 6      4.7908    4.7908        1.7237    1.7223       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        5.1669    5.1669       14.9475   14.9475
 2    -14.3724  -14.3724        0.0000    0.0000       14.9475   14.9475
 3    -14.3724  -14.3724        5.1669    5.1669        0.0000    0.0000
 4      5.1669    5.1669       14.3724   14.3724     -116.9303 -116.9303
 5    -14.9475  -14.9475      112.2976  112.2976      -14.3724  -14.3724
 6      4.6328    4.6328       14.9475   14.9475       -5.1669   -5.1669
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1595    0.0000        7.6509    6.8892      -19.5838  -19.9300
 2     -7.0008   -6.8892      -19.0240  -19.1633      155.5457  155.9071
 3     20.1909   19.9300     -149.6010 -149.7301       19.2078   19.1633
 4     19.0941   19.1633       -0.0098    0.0000       19.7977   19.9300
 5     -6.0224   -6.1770      -20.2888  -19.9300        6.7373    6.8892
 6    -19.3050  -19.1633       -6.6972   -6.8892        0.0024    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2054    0.0000      -13.0107  -13.0074       30.9014   30.9210
 2     13.5172   13.0074       -2.7528   -1.5586       13.2861   12.3717
 3    -30.8075  -30.9210      -12.8050  -14.1722        1.2647    1.5586
 4      1.5149    1.5586        0.3125    0.0000      -31.2749  -30.9210
 5      1.7057    1.8005       31.1540   30.9210      -13.2953  -13.0074
 6     -1.3365   -1.5586       12.6362   13.0074        0.5206    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -10.1389  -10.1259        4.8827    4.2748      -45.2678  -45.0123
 2     -3.6906   -3.5499       23.2154   22.2116      -46.0474  -45.0123
 3     -3.5911   -3.5499        5.2858    4.2748      -94.1622  -93.1787
 4    -17.8257  -17.9368       -7.4174   -6.5760       15.1494   14.8529
 5    -47.9432  -48.1664        7.6225    6.6547        5.5943    6.5760
 6    -21.4780  -21.5076       48.6254   48.1664       17.5326   17.9368
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.5129   -0.0005    0.0006    0.0007    1.3541    3.4605
 Low frequencies ---   23.6182   38.0581   44.8628
 Diagonal vibrational polarizability:
       38.9069094      18.4296831      11.9115717
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     23.6088                38.0548                44.8534
 Red. masses --      3.7892                 5.9048                 4.0212
 Frc consts  --      0.0012                 0.0050                 0.0048
 IR Inten    --      0.0864                 1.1818                 0.5689
 RamAct Fr= 1--      0.2643                 0.7875                 2.6482
  Dep-P Fr= 1--      0.7442                 0.7471                 0.7249
  Dep-U Fr= 1--      0.8533                 0.8553                 0.8405
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0011
 Beta2  Fr= 1--      0.0376                 0.1122                 0.3710
 AlphaG Fr= 1--     -0.0004                -0.0008                 0.0054
 Gamma2 Fr= 1--     -0.2932                -0.3806                 0.1540
 Delta2 Fr= 1--     -0.2830                 0.0948                -0.5560
 Raman1 Fr= 1--       1.057                  3.150                 10.593
 ROA1   Fr= 1--     -37.208                -33.505                 -3.012
 CID1   Fr= 1--     -35.200                -10.637                 -0.284
 Raman2 Fr= 1--       0.451                  1.347                  4.452
 ROA2   Fr= 1--      -4.773                 -9.893                  8.143
 CID2   Fr= 1--     -10.584                 -7.344                  1.829
 Raman3 Fr= 1--       0.902                  2.694                  8.903
 ROA3   Fr= 1--     -37.208                -33.505                 -3.012
 CID3   Fr= 1--     -41.250                -12.437                 -0.338
 RC180  Fr= 1--       0.707                  0.711                  0.681
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.08    -0.03  -0.06  -0.05    -0.05   0.09   0.03
     2   6     0.01   0.07  -0.06    -0.03  -0.05  -0.05    -0.01  -0.04  -0.03
     3   6     0.00   0.03  -0.06    -0.03  -0.06  -0.05    -0.05   0.09   0.03
     4   6    -0.00   0.08  -0.02    -0.02  -0.07  -0.05    -0.01  -0.02  -0.04
     5   6    -0.00   0.12  -0.00    -0.01  -0.09  -0.06     0.03  -0.16  -0.11
     6   6     0.00   0.12  -0.02    -0.01  -0.07  -0.06     0.03  -0.16  -0.11
     7   6     0.02   0.05  -0.09    -0.04   0.01  -0.03    -0.02  -0.01  -0.02
     8   6    -0.01  -0.09   0.03     0.02   0.03   0.03     0.01  -0.04   0.04
     9   6     0.00  -0.10  -0.03    -0.01   0.15  -0.01    -0.01   0.07  -0.05
    10   6    -0.06  -0.05   0.23     0.12   0.03   0.15     0.11  -0.02   0.21
    11   6     0.00   0.06  -0.01    -0.04  -0.02  -0.01    -0.03   0.02  -0.02
    12   6    -0.00  -0.07   0.04     0.01   0.02   0.02     0.02   0.04   0.02
    13   8     0.03  -0.16  -0.01    -0.20  -0.02  -0.10     0.17   0.08   0.11
    14   8    -0.05  -0.06   0.16     0.35   0.12   0.20    -0.12  -0.00  -0.07
    15   1     0.01  -0.02  -0.11    -0.04  -0.04  -0.05    -0.08   0.18   0.09
    16   1     0.00  -0.01  -0.07    -0.04  -0.05  -0.04    -0.08   0.20   0.09
    17   1    -0.00   0.15   0.02    -0.00  -0.10  -0.06     0.06  -0.25  -0.16
    18   1     0.00   0.16  -0.01    -0.01  -0.08  -0.06     0.06  -0.26  -0.16
    19   1     0.06   0.02  -0.22    -0.08   0.02  -0.07    -0.03  -0.02  -0.08
    20   1     0.01   0.18  -0.06    -0.06   0.07  -0.02    -0.03   0.05  -0.01
    21   1    -0.01  -0.22   0.01    -0.00  -0.07   0.02    -0.03  -0.17   0.03
    22   1     0.04  -0.14  -0.17    -0.09   0.14  -0.10    -0.07   0.05  -0.19
    23   1    -0.00   0.03  -0.01    -0.00   0.26   0.01     0.03   0.22  -0.04
    24   1    -0.02  -0.21   0.04     0.03   0.15   0.04     0.01   0.04   0.00
    25   1    -0.08  -0.15   0.31     0.15   0.03   0.18     0.12  -0.05   0.25
    26   1    -0.06   0.09   0.25     0.15   0.13   0.16     0.17   0.10   0.22
    27   1    -0.07  -0.05   0.27     0.14  -0.05   0.18     0.12  -0.11   0.29
    28   1    -0.04   0.12   0.03    -0.05  -0.01   0.00    -0.03   0.04  -0.00
    29   6     0.06   0.06  -0.12    -0.12  -0.01  -0.01    -0.09   0.03  -0.03
    30   1    -0.05  -0.14   0.19     0.37   0.14   0.21    -0.07   0.01  -0.04
    31   1     0.05   0.15  -0.17    -0.17  -0.03  -0.04    -0.11   0.01  -0.04
    32   1     0.11   0.00  -0.17    -0.10  -0.03  -0.02    -0.11   0.02  -0.04
    33   1     0.06   0.04  -0.11    -0.14   0.04   0.04    -0.10   0.08  -0.02
                      4                      5                      6
                      A                      A                      A
 Frequencies --     55.5603                61.0597               101.8797
 Red. masses --      4.0740                 3.1885                 4.9067
 Frc consts  --      0.0074                 0.0070                 0.0300
 IR Inten    --      0.5370                 0.0050                 0.1598
 RamAct Fr= 1--      2.0365                 1.1133                 2.5981
  Dep-P Fr= 1--      0.7454                 0.7393                 0.6274
  Dep-U Fr= 1--      0.8541                 0.8501                 0.7710
 Alpha2 Fr= 1--      0.0002                 0.0002                 0.0058
 Beta2  Fr= 1--      0.2899                 0.1577                 0.3339
 AlphaG Fr= 1--     -0.0004                 0.0004                -0.0002
 Gamma2 Fr= 1--      1.3460                -1.2243                 0.9205
 Delta2 Fr= 1--      1.4159                -0.5976                 0.4925
 Raman1 Fr= 1--       8.146                  4.453                 10.392
 ROA1   Fr= 1--     174.529               -136.654                104.128
 CID1   Fr= 1--      21.425                -30.686                 10.020
 Raman2 Fr= 1--       3.479                  1.893                  4.006
 ROA2   Fr= 1--      20.978                -24.602                 18.151
 CID2   Fr= 1--       6.030                -12.997                  4.531
 Raman3 Fr= 1--       6.958                  3.786                  8.013
 ROA3   Fr= 1--     174.529               -136.654                104.128
 CID3   Fr= 1--      25.083                -36.096                 12.995
 RC180  Fr= 1--       0.708                  0.700                  0.542
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.18  -0.12    -0.06   0.11  -0.04     0.01  -0.01   0.05
     2   6    -0.01  -0.08  -0.06    -0.01   0.07  -0.07    -0.06   0.06   0.11
     3   6     0.03  -0.15  -0.12    -0.05   0.06  -0.02     0.05  -0.08  -0.04
     4   6    -0.02  -0.02  -0.05     0.00  -0.03  -0.05     0.03  -0.08  -0.07
     5   6    -0.05   0.05  -0.01     0.05  -0.07  -0.08    -0.05  -0.02  -0.01
     6   6    -0.05   0.02  -0.02     0.04  -0.02  -0.10    -0.08   0.05   0.09
     7   6    -0.03  -0.03  -0.00    -0.02   0.09  -0.07    -0.06   0.04   0.13
     8   6     0.07   0.05   0.03    -0.00   0.02   0.02    -0.15   0.04   0.02
     9   6     0.03   0.08   0.20     0.00  -0.11   0.22    -0.11  -0.00  -0.14
    10   6     0.08   0.03  -0.08    -0.16   0.03  -0.04    -0.17   0.04   0.02
    11   6    -0.05   0.06  -0.01    -0.00  -0.06   0.00     0.03  -0.04  -0.08
    12   6     0.02   0.02   0.06     0.05  -0.01   0.03     0.14  -0.01  -0.01
    13   8     0.15   0.01   0.11     0.06   0.01   0.05     0.26   0.03   0.06
    14   8    -0.08   0.00   0.07     0.09  -0.00   0.02     0.17  -0.00  -0.00
    15   1     0.07  -0.27  -0.17    -0.10   0.17  -0.02     0.05  -0.02   0.07
    16   1     0.06  -0.21  -0.16    -0.09   0.09   0.01     0.10  -0.12  -0.08
    17   1    -0.09   0.14   0.04     0.09  -0.13  -0.10    -0.08  -0.00  -0.03
    18   1    -0.08   0.09   0.03     0.08  -0.04  -0.12    -0.13   0.10   0.12
    19   1    -0.07  -0.01   0.04     0.00   0.07  -0.15    -0.04   0.04   0.18
    20   1    -0.07  -0.04   0.00    -0.04   0.17  -0.06    -0.04  -0.04   0.11
    21   1     0.16   0.11   0.02     0.14   0.06   0.00    -0.27   0.06   0.05
    22   1     0.02   0.10   0.29     0.12  -0.11   0.29    -0.12  -0.00  -0.15
    23   1    -0.07   0.01   0.21    -0.14  -0.19   0.24     0.01  -0.02  -0.18
    24   1     0.10   0.14   0.23     0.02  -0.14   0.27    -0.20  -0.01  -0.24
    25   1     0.16   0.08  -0.04    -0.10  -0.01   0.06    -0.26   0.02  -0.07
    26   1    -0.02  -0.03  -0.07    -0.36  -0.01  -0.01    -0.05   0.01  -0.01
    27   1     0.11   0.02  -0.19    -0.14   0.10  -0.22    -0.21   0.08   0.14
    28   1    -0.07   0.12   0.03    -0.04  -0.09  -0.01     0.03  -0.01  -0.06
    29   6    -0.12   0.08  -0.08    -0.01  -0.06   0.07    -0.05  -0.03  -0.11
    30   1    -0.03  -0.02   0.12     0.13   0.03   0.04     0.29   0.04   0.07
    31   1    -0.16   0.10  -0.14    -0.04  -0.09   0.06    -0.09  -0.04  -0.14
    32   1    -0.09   0.03  -0.12     0.02  -0.03   0.08    -0.04  -0.06  -0.13
    33   1    -0.14   0.13  -0.05    -0.02  -0.07   0.11    -0.07   0.03  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    165.9867               214.7491               224.2402
 Red. masses --      3.4331                 2.0330                 1.3787
 Frc consts  --      0.0557                 0.0552                 0.0408
 IR Inten    --      0.0954                 0.4666                 0.1660
 RamAct Fr= 1--      0.5639                 0.1717                 0.8610
  Dep-P Fr= 1--      0.5428                 0.7398                 0.1672
  Dep-U Fr= 1--      0.7037                 0.8505                 0.2866
 Alpha2 Fr= 1--      0.0022                 0.0000                 0.0127
 Beta2  Fr= 1--      0.0661                 0.0243                 0.0411
 AlphaG Fr= 1--     -0.0036                -0.0008                 0.0053
 Gamma2 Fr= 1--      0.2541                -0.0437                -0.0550
 Delta2 Fr= 1--      0.1458                 0.0553                 0.0560
 Raman1 Fr= 1--       2.256                  0.687                  3.444
 ROA1   Fr= 1--      29.058                 -2.423                 -3.489
 CID1   Fr= 1--      12.883                 -3.527                 -1.013
 Raman2 Fr= 1--       0.794                  0.292                  0.493
 ROA2   Fr= 1--       4.932                 -1.490                 -1.769
 CID2   Fr= 1--       6.215                 -5.101                 -3.584
 Raman3 Fr= 1--       1.587                  0.584                  0.987
 ROA3   Fr= 1--      29.058                 -2.423                 -3.489
 CID3   Fr= 1--      18.308                 -4.147                 -3.535
 RC180  Fr= 1--       0.407                  0.701                 -0.427
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.05  -0.02     0.07  -0.02  -0.02     0.03  -0.05  -0.02
     2   6    -0.06  -0.03  -0.03     0.03   0.01   0.01     0.00  -0.04  -0.01
     3   6    -0.04   0.13  -0.05     0.07  -0.01  -0.07     0.02  -0.01  -0.03
     4   6    -0.06   0.12  -0.08     0.04   0.01  -0.08     0.01   0.02  -0.01
     5   6    -0.11   0.11  -0.06     0.03  -0.03  -0.09    -0.00  -0.03  -0.03
     6   6    -0.11   0.03  -0.04     0.01  -0.03  -0.04     0.00  -0.06  -0.03
     7   6    -0.06  -0.13   0.04     0.01   0.02   0.09    -0.02   0.01   0.02
     8   6    -0.01  -0.06   0.02    -0.01   0.03   0.04    -0.03   0.02   0.01
     9   6    -0.05   0.04   0.04     0.01  -0.02  -0.04    -0.02   0.01  -0.03
    10   6     0.11  -0.09  -0.03    -0.05   0.04   0.02    -0.05   0.03   0.03
    11   6    -0.03  -0.01  -0.05     0.01   0.03   0.00     0.01   0.03  -0.00
    12   6     0.02  -0.01  -0.01    -0.01   0.02   0.01    -0.00   0.02   0.00
    13   8     0.09  -0.01   0.02    -0.03  -0.04  -0.04     0.01  -0.00  -0.01
    14   8     0.06  -0.00   0.04    -0.08   0.01   0.05    -0.02   0.02   0.04
    15   1     0.02   0.04   0.01     0.09  -0.02  -0.01     0.05  -0.06  -0.02
    16   1    -0.01   0.16  -0.05     0.11  -0.01  -0.09     0.03  -0.01  -0.03
    17   1    -0.15   0.13  -0.08     0.01  -0.05  -0.12    -0.01  -0.03  -0.05
    18   1    -0.14  -0.00  -0.04    -0.02  -0.06  -0.04    -0.00  -0.08  -0.03
    19   1    -0.01  -0.12   0.16     0.02   0.02   0.15    -0.05   0.01   0.02
    20   1    -0.12  -0.24   0.03    -0.03  -0.05   0.08    -0.02   0.01   0.02
    21   1    -0.02  -0.05   0.02    -0.06   0.06   0.06    -0.04   0.02   0.01
    22   1    -0.13   0.05   0.03     0.01   0.00   0.06    -0.09   0.07   0.19
    23   1    -0.07   0.09   0.05     0.11  -0.14  -0.08     0.10  -0.22  -0.09
    24   1     0.01   0.09   0.08    -0.06   0.03  -0.17    -0.05   0.18  -0.24
    25   1     0.09  -0.02  -0.12    -0.13   0.02  -0.06     0.10   0.01   0.23
    26   1     0.22  -0.12  -0.05     0.04   0.00  -0.00    -0.30   0.09   0.09
    27   1     0.10  -0.15   0.06    -0.08   0.08   0.11     0.01  -0.00  -0.19
    28   1    -0.12  -0.12  -0.09    -0.04  -0.02  -0.02     0.00   0.01  -0.01
    29   6     0.17  -0.07   0.13    -0.03   0.01   0.13     0.07   0.02   0.05
    30   1     0.13   0.01   0.08    -0.14  -0.06   0.03    -0.03  -0.01   0.04
    31   1     0.19  -0.07   0.14    -0.35   0.02  -0.14     0.37  -0.07   0.34
    32   1     0.30   0.06   0.19     0.39   0.05   0.06    -0.28   0.11   0.18
    33   1     0.18  -0.27   0.20    -0.15  -0.04   0.59     0.19  -0.00  -0.33
                     10                     11                     12
                      A                      A                      A
 Frequencies --    227.9483               235.8238               254.6764
 Red. masses --      1.1418                 1.8868                 1.3197
 Frc consts  --      0.0350                 0.0618                 0.0504
 IR Inten    --      0.5015                 0.2543                 0.3908
 RamAct Fr= 1--      0.1230                 1.7623                 0.3740
  Dep-P Fr= 1--      0.4487                 0.1876                 0.7461
  Dep-U Fr= 1--      0.6194                 0.3160                 0.8546
 Alpha2 Fr= 1--      0.0008                 0.0247                 0.0000
 Beta2  Fr= 1--      0.0127                 0.0928                 0.0533
 AlphaG Fr= 1--      0.0036                 0.0062                 0.0013
 Gamma2 Fr= 1--     -0.0036                -0.2508                 0.2049
 Delta2 Fr= 1--     -0.0239                -0.2036                 0.2608
 Raman1 Fr= 1--       0.492                  7.049                  1.496
 ROA1   Fr= 1--      -1.114                -30.588                 28.013
 CID1   Fr= 1--      -2.265                 -4.339                 18.725
 Raman2 Fr= 1--       0.152                  1.114                  0.639
 ROA2   Fr= 1--       0.104                 -4.389                  2.830
 CID2   Fr= 1--       0.683                 -3.941                  4.428
 Raman3 Fr= 1--       0.305                  2.227                  1.278
 ROA3   Fr= 1--      -1.114                -30.588                 28.013
 CID3   Fr= 1--      -3.656                -13.732                 21.912
 RC180  Fr= 1--       0.239                 -0.368                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.01     0.02  -0.07  -0.02    -0.02  -0.02  -0.03
     2   6    -0.01  -0.02   0.00    -0.01  -0.06  -0.01    -0.01  -0.01  -0.03
     3   6    -0.02   0.01   0.02     0.01  -0.03   0.00    -0.03  -0.02  -0.00
     4   6    -0.01   0.00   0.02     0.01   0.02   0.04    -0.01   0.00   0.02
     5   6    -0.01   0.01   0.03     0.01  -0.05   0.01     0.01  -0.02   0.00
     6   6    -0.01   0.00   0.02     0.02  -0.09  -0.01     0.01  -0.02  -0.02
     7   6    -0.00  -0.01  -0.03    -0.03   0.00  -0.02    -0.02   0.02  -0.01
     8   6     0.00  -0.01  -0.01    -0.04   0.02  -0.02    -0.01   0.01   0.02
     9   6    -0.00   0.01  -0.02    -0.06   0.05   0.01     0.00  -0.02   0.02
    10   6     0.01  -0.01   0.02    -0.09   0.02  -0.01     0.00   0.02   0.02
    11   6    -0.00  -0.01   0.01     0.02   0.04   0.03    -0.01  -0.00   0.03
    12   6     0.00  -0.00   0.00    -0.00   0.02   0.02    -0.01  -0.00   0.03
    13   8    -0.00   0.02   0.02    -0.02   0.04   0.02    -0.03   0.04   0.05
    14   8     0.02  -0.00  -0.03    -0.00   0.02  -0.01     0.02   0.00  -0.02
    15   1    -0.02  -0.00   0.01     0.04  -0.09  -0.02    -0.03  -0.03  -0.04
    16   1    -0.03   0.01   0.03     0.00  -0.03   0.01    -0.04  -0.02   0.00
    17   1    -0.02   0.02   0.03     0.00  -0.05  -0.00     0.02  -0.03   0.01
    18   1    -0.00   0.00   0.02     0.04  -0.11  -0.03     0.03  -0.02  -0.03
    19   1    -0.02  -0.01  -0.06    -0.07   0.01  -0.03    -0.03   0.02  -0.04
    20   1     0.01   0.02  -0.02    -0.01   0.02  -0.02    -0.04   0.06  -0.00
    21   1     0.01  -0.03  -0.02    -0.03   0.01  -0.02    -0.01   0.02   0.02
    22   1    -0.09   0.08   0.25    -0.00  -0.04  -0.37    -0.04   0.05   0.33
    23   1     0.10  -0.26  -0.08    -0.22   0.45   0.10     0.10  -0.35  -0.05
    24   1    -0.01   0.21  -0.23     0.00  -0.19   0.33    -0.03   0.17  -0.22
    25   1     0.25  -0.00   0.29    -0.09  -0.00   0.02    -0.28  -0.00  -0.29
    26   1    -0.32   0.08   0.10    -0.14   0.03  -0.00     0.42  -0.05  -0.07
    27   1     0.11  -0.09  -0.29    -0.09   0.06  -0.05    -0.11   0.09   0.42
    28   1    -0.00   0.00   0.01     0.02   0.05   0.04    -0.01   0.02   0.04
    29   6     0.03  -0.00  -0.04     0.16   0.03  -0.03     0.08   0.00  -0.06
    30   1     0.04   0.03  -0.03    -0.02   0.03  -0.02     0.02   0.04  -0.02
    31   1    -0.17   0.12  -0.28     0.10   0.19  -0.16     0.12   0.11  -0.08
    32   1     0.36  -0.08  -0.16     0.40  -0.01  -0.11     0.12  -0.05  -0.10
    33   1    -0.04  -0.06   0.25     0.15  -0.10   0.11     0.10  -0.06  -0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    298.0842               309.0713               358.0691
 Red. masses --      2.7521                 3.7794                 2.9075
 Frc consts  --      0.1441                 0.2127                 0.2196
 IR Inten    --      0.3940                 0.9527                 0.9103
 RamAct Fr= 1--      1.5654                 1.3266                 1.6115
  Dep-P Fr= 1--      0.0962                 0.7441                 0.7500
  Dep-U Fr= 1--      0.1755                 0.8533                 0.8571
 Alpha2 Fr= 1--      0.0277                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0458                 0.1887                 0.2302
 AlphaG Fr= 1--     -0.0030                -0.0005                -0.0000
 Gamma2 Fr= 1--     -0.1436                -0.9514                 0.7491
 Delta2 Fr= 1--      0.0720                -0.8708                 0.1824
 Raman1 Fr= 1--       6.261                  5.306                  6.446
 ROA1   Fr= 1--     -11.485               -119.202                 77.750
 CID1   Fr= 1--      -1.834                -22.463                 12.062
 Raman2 Fr= 1--       0.549                  2.264                  2.763
 ROA2   Fr= 1--      -4.023                -15.867                 16.519
 CID2   Fr= 1--      -7.323                 -7.009                  5.980
 Raman3 Fr= 1--       1.099                  4.528                  5.525
 ROA3   Fr= 1--     -11.485               -119.202                 77.750
 CID3   Fr= 1--     -10.453                -26.326                 14.072
 RC180  Fr= 1--      -0.649                  0.707                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00    -0.05  -0.09   0.07    -0.05   0.04   0.04
     2   6     0.00  -0.01   0.00    -0.02  -0.14   0.03    -0.06   0.11   0.08
     3   6    -0.02   0.02  -0.03    -0.06   0.02   0.09     0.00  -0.12  -0.04
     4   6    -0.07   0.02  -0.05    -0.08   0.03   0.06     0.01  -0.09  -0.03
     5   6    -0.06   0.02  -0.06    -0.10   0.01   0.07     0.00  -0.10  -0.03
     6   6    -0.05  -0.01  -0.04    -0.06  -0.10   0.05    -0.04   0.03   0.04
     7   6     0.03   0.00   0.11     0.00   0.06  -0.11    -0.03   0.11  -0.01
     8   6     0.08   0.09   0.05     0.08   0.08  -0.06    -0.06   0.00   0.02
     9   6     0.18  -0.10  -0.08     0.12  -0.07  -0.01    -0.02  -0.11  -0.00
    10   6     0.02   0.09   0.01    -0.02   0.12   0.03     0.17  -0.04  -0.05
    11   6    -0.08  -0.04   0.00    -0.03   0.03  -0.09    -0.01   0.02  -0.02
    12   6    -0.05  -0.03   0.05     0.01   0.04  -0.12    -0.01   0.06  -0.02
    13   8    -0.06   0.06   0.11     0.15  -0.06  -0.13     0.01   0.03  -0.03
    14   8     0.02  -0.02  -0.01    -0.00   0.05   0.03    -0.07   0.07   0.07
    15   1    -0.01  -0.01  -0.00    -0.04  -0.09   0.08    -0.06   0.06   0.05
    16   1     0.02   0.04  -0.04    -0.05   0.06   0.10     0.02  -0.19  -0.08
    17   1    -0.06   0.02  -0.06    -0.13   0.06   0.08     0.02  -0.15  -0.06
    18   1    -0.10  -0.03  -0.03    -0.09  -0.13   0.05    -0.04   0.05   0.05
    19   1     0.00   0.04   0.26    -0.18   0.07  -0.28    -0.01   0.07  -0.21
    20   1    -0.04  -0.13   0.10     0.11   0.24  -0.10     0.03   0.29   0.00
    21   1     0.05   0.13   0.06     0.14   0.05  -0.07    -0.06  -0.00   0.02
    22   1     0.40  -0.19  -0.30     0.28  -0.09   0.01     0.13  -0.15  -0.05
    23   1     0.23   0.04  -0.07     0.08  -0.13  -0.01    -0.04  -0.11   0.00
    24   1    -0.00  -0.38  -0.02     0.05  -0.16  -0.01    -0.11  -0.24   0.03
    25   1     0.10   0.08   0.13    -0.16   0.01  -0.03     0.36   0.17  -0.05
    26   1    -0.15   0.10   0.05     0.12   0.17   0.02     0.17  -0.07  -0.06
    27   1     0.05   0.11  -0.14    -0.08   0.20   0.20     0.26  -0.28  -0.14
    28   1    -0.15  -0.04   0.02     0.05  -0.03  -0.15     0.02   0.01  -0.04
    29   6     0.03  -0.06  -0.07     0.00   0.00   0.07     0.10   0.00  -0.00
    30   1     0.09   0.07  -0.00     0.10  -0.02   0.13    -0.07  -0.03   0.11
    31   1     0.11   0.03  -0.04    -0.06  -0.06   0.05     0.16   0.07   0.02
    32   1     0.02  -0.09  -0.09     0.12   0.13   0.12     0.17   0.04   0.01
    33   1     0.07  -0.12  -0.16    -0.02  -0.08   0.21     0.13  -0.14  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    383.3109               409.5839               418.8151
 Red. masses --      2.9200                 2.9284                 2.9718
 Frc consts  --      0.2528                 0.2894                 0.3071
 IR Inten    --      0.4850                 2.4397                 0.0037
 RamAct Fr= 1--      1.0860                 3.9791                 0.0127
  Dep-P Fr= 1--      0.1163                 0.1303                 0.3586
  Dep-U Fr= 1--      0.2084                 0.2306                 0.5279
 Alpha2 Fr= 1--      0.0183                 0.0646                 0.0001
 Beta2  Fr= 1--      0.0377                 0.1529                 0.0011
 AlphaG Fr= 1--      0.0145                 0.0309                 0.0054
 Gamma2 Fr= 1--      0.0699                 0.7288                -0.1380
 Delta2 Fr= 1--     -0.1151                 0.1993                 0.0035
 Raman1 Fr= 1--       4.344                 15.917                  0.051
 ROA1   Fr= 1--       3.029                 76.343                -13.140
 CID1   Fr= 1--       0.697                  4.796               -258.646
 Raman2 Fr= 1--       0.453                  1.835                  0.013
 ROA2   Fr= 1--       2.598                 15.898                 -3.341
 CID2   Fr= 1--       5.741                  8.663               -249.129
 Raman3 Fr= 1--       0.905                  3.670                  0.027
 ROA3   Fr= 1--       3.029                 76.343                -13.140
 CID3   Fr= 1--       3.346                 20.800               -489.932
 RC180  Fr= 1--      -0.583                 -0.539                  0.056
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.00   0.14    -0.04   0.03   0.03     0.06  -0.18  -0.09
     2   6     0.02  -0.05   0.14     0.03   0.05   0.01    -0.00  -0.01   0.01
     3   6     0.12   0.03  -0.06    -0.03  -0.06   0.02    -0.05   0.18   0.10
     4   6     0.02   0.03  -0.13    -0.03  -0.10  -0.02     0.00  -0.00  -0.01
     5   6    -0.05   0.03  -0.10     0.01  -0.05  -0.01     0.05  -0.18  -0.11
     6   6    -0.07  -0.04   0.08    -0.00   0.07   0.01    -0.07   0.17   0.11
     7   6     0.06   0.05  -0.12     0.08  -0.04   0.00    -0.00   0.00  -0.01
     8   6     0.03  -0.03  -0.09     0.12  -0.08   0.05    -0.00   0.00  -0.02
     9   6    -0.01   0.04   0.03     0.10   0.13  -0.01    -0.01  -0.01   0.00
    10   6    -0.02  -0.01  -0.01    -0.11  -0.08  -0.01     0.01   0.01  -0.00
    11   6    -0.03  -0.02  -0.01    -0.06  -0.04  -0.06     0.00   0.00  -0.00
    12   6    -0.02  -0.03   0.06    -0.05   0.06  -0.05     0.00  -0.00   0.01
    13   8    -0.08   0.04   0.09     0.03   0.05  -0.02    -0.00   0.00   0.00
    14   8     0.00  -0.04   0.00    -0.08   0.09   0.10     0.00  -0.00  -0.00
    15   1     0.16   0.03   0.24    -0.09   0.05  -0.01     0.14  -0.38  -0.19
    16   1     0.25   0.08  -0.10    -0.03  -0.05   0.02    -0.11   0.38   0.21
    17   1    -0.15   0.06  -0.16     0.06  -0.07   0.01     0.11  -0.38  -0.22
    18   1    -0.20  -0.09   0.12    -0.02   0.11   0.03    -0.14   0.37   0.22
    19   1    -0.06   0.02  -0.44     0.14  -0.06  -0.01    -0.00   0.00  -0.02
    20   1     0.29   0.34  -0.12     0.04  -0.03   0.01     0.02   0.01  -0.01
    21   1     0.08  -0.08  -0.10     0.14  -0.08   0.05     0.00  -0.00  -0.02
    22   1    -0.08   0.07   0.10    -0.17   0.16  -0.05     0.01  -0.01   0.02
    23   1    -0.10   0.01   0.05     0.24   0.22  -0.03    -0.03  -0.02   0.01
    24   1     0.10   0.13   0.07     0.19   0.29  -0.08    -0.00  -0.02   0.02
    25   1    -0.09  -0.09  -0.02    -0.27  -0.21  -0.06     0.02   0.01   0.01
    26   1     0.03   0.03  -0.01    -0.20  -0.22  -0.02     0.02   0.03   0.00
    27   1    -0.05   0.04   0.07    -0.20   0.21  -0.05     0.02  -0.01   0.01
    28   1    -0.14  -0.02   0.02    -0.00  -0.07  -0.10    -0.01   0.00   0.00
    29   6    -0.01  -0.03  -0.02     0.04  -0.08  -0.04     0.00   0.00   0.01
    30   1    -0.01  -0.00  -0.03     0.04  -0.03   0.22    -0.00   0.00  -0.01
    31   1     0.02  -0.04   0.01     0.10   0.00  -0.03     0.01  -0.00   0.01
    32   1    -0.05  -0.03  -0.01     0.12  -0.05  -0.04    -0.00   0.01   0.01
    33   1    -0.00  -0.03  -0.06     0.07  -0.22  -0.05     0.00   0.00   0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    424.3553               477.7641               510.6508
 Red. masses --      2.0275                 3.8699                 3.0260
 Frc consts  --      0.2151                 0.5204                 0.4649
 IR Inten    --      0.8962                12.1763                 1.5201
 RamAct Fr= 1--      0.3703                 0.9045                 0.5015
  Dep-P Fr= 1--      0.3785                 0.1685                 0.5916
  Dep-U Fr= 1--      0.5491                 0.2883                 0.7434
 Alpha2 Fr= 1--      0.0030                 0.0133                 0.0015
 Beta2  Fr= 1--      0.0339                 0.0435                 0.0621
 AlphaG Fr= 1--      0.0020                -0.0141                -0.0059
 Gamma2 Fr= 1--      0.0367                 0.4180                 0.2519
 Delta2 Fr= 1--     -0.1714                 0.2157                 0.1009
 Raman1 Fr= 1--       1.481                  3.618                  2.006
 ROA1   Fr= 1--      -1.960                 47.029                 27.411
 CID1   Fr= 1--      -1.323                 12.999                 13.665
 Raman2 Fr= 1--       0.407                  0.522                  0.746
 ROA2   Fr= 1--       2.253                  8.305                  5.239
 CID2   Fr= 1--       5.540                 15.923                  7.026
 Raman3 Fr= 1--       0.813                  1.043                  1.491
 ROA3   Fr= 1--      -1.960                 47.029                 27.411
 CID3   Fr= 1--      -2.409                 45.082                 18.383
 RC180  Fr= 1--       0.098                 -0.423                  0.487
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05  -0.02    -0.11   0.08   0.02    -0.00  -0.04   0.02
     2   6     0.00  -0.02  -0.00    -0.12   0.02   0.01     0.03   0.17   0.10
     3   6    -0.01   0.04   0.01    -0.04  -0.07  -0.07    -0.01  -0.09   0.02
     4   6    -0.02   0.07   0.02     0.04  -0.09  -0.05    -0.13   0.11   0.07
     5   6    -0.01   0.02   0.00    -0.06  -0.10  -0.02     0.01  -0.05  -0.05
     6   6     0.01  -0.04  -0.02    -0.12   0.05   0.06     0.02  -0.00  -0.04
     7   6    -0.02   0.12   0.02    -0.05  -0.07  -0.05     0.10   0.02   0.02
     8   6     0.00  -0.03   0.19     0.10  -0.02  -0.00     0.01  -0.03  -0.07
     9   6     0.03   0.03  -0.03     0.14   0.04  -0.01    -0.02   0.01   0.01
    10   6    -0.01  -0.10  -0.06    -0.03  -0.01   0.00     0.00  -0.02   0.00
    11   6    -0.01   0.02   0.01     0.08   0.12   0.08    -0.13   0.08  -0.03
    12   6     0.00  -0.03   0.00     0.11  -0.01   0.09    -0.10  -0.05  -0.02
    13   8     0.01  -0.03   0.01    -0.02  -0.08  -0.01     0.03  -0.08   0.02
    14   8     0.04  -0.03  -0.04     0.07  -0.06  -0.09     0.06  -0.04  -0.09
    15   1     0.02  -0.08  -0.03    -0.11   0.14   0.08    -0.00  -0.23  -0.14
    16   1    -0.01   0.05   0.01    -0.10  -0.10  -0.06     0.10  -0.27  -0.11
    17   1    -0.01   0.02  -0.01    -0.11  -0.09  -0.06     0.13  -0.25  -0.10
    18   1     0.01  -0.06  -0.03    -0.12   0.12   0.09     0.04  -0.22  -0.14
    19   1    -0.06   0.06  -0.34    -0.05  -0.06   0.01     0.23   0.01   0.11
    20   1    -0.05   0.50   0.09    -0.08  -0.10  -0.05     0.16  -0.11  -0.01
    21   1    -0.03  -0.03   0.20     0.17  -0.04  -0.02     0.00  -0.03  -0.07
    22   1    -0.08   0.02  -0.18     0.08   0.04  -0.04    -0.06   0.03   0.07
    23   1     0.27   0.15  -0.08     0.21   0.06  -0.03    -0.12   0.00   0.04
    24   1    -0.06   0.02  -0.14     0.12   0.06  -0.05     0.09   0.08   0.07
    25   1     0.02   0.08  -0.21    -0.14  -0.14   0.01    -0.00  -0.08   0.05
    26   1    -0.06  -0.41  -0.12    -0.09  -0.04   0.01     0.00   0.06   0.02
    27   1     0.01  -0.04  -0.22    -0.09   0.16   0.00    -0.00  -0.02   0.03
    28   1    -0.02   0.02   0.02     0.02   0.20   0.15    -0.13   0.10  -0.01
    29   6    -0.02   0.03   0.02     0.06   0.20   0.08    -0.00   0.09   0.04
    30   1     0.05   0.04  -0.06    -0.26   0.02  -0.35     0.40   0.26   0.04
    31   1    -0.04  -0.00   0.01     0.07   0.17   0.10     0.03   0.07   0.08
    32   1    -0.04   0.03   0.02     0.03   0.23   0.10     0.06   0.19   0.09
    33   1    -0.03   0.06   0.03     0.06   0.20   0.07     0.01  -0.05   0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --    591.7572               617.7631               641.9024
 Red. masses --      2.0213                 1.7875                 3.3510
 Frc consts  --      0.4170                 0.4019                 0.8135
 IR Inten    --     49.2852                62.5229                20.9174
 RamAct Fr= 1--      1.4009                 1.0571                 3.2974
  Dep-P Fr= 1--      0.2364                 0.7500                 0.6550
  Dep-U Fr= 1--      0.3824                 0.8571                 0.7915
 Alpha2 Fr= 1--      0.0172                 0.0000                 0.0056
 Beta2  Fr= 1--      0.0893                 0.1510                 0.4350
 AlphaG Fr= 1--     -0.0161                 0.0001                -0.0258
 Gamma2 Fr= 1--     -0.3331                -1.1786                -0.1519
 Delta2 Fr= 1--     -0.0424                -0.4541                 0.0926
 Raman1 Fr= 1--       5.604                  4.228                 13.190
 ROA1   Fr= 1--     -33.329               -127.672                -11.615
 CID1   Fr= 1--      -5.948                -30.195                 -0.881
 Raman2 Fr= 1--       1.071                  1.812                  5.220
 ROA2   Fr= 1--      -7.654                -24.653                 -4.386
 CID2   Fr= 1--      -7.144                -13.605                 -0.840
 Raman3 Fr= 1--       2.143                  3.624                 10.440
 ROA3   Fr= 1--     -33.329               -127.672                -11.615
 CID3   Fr= 1--     -15.553                -35.228                 -1.113
 RC180  Fr= 1--      -0.235                  0.714                  0.583
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.02     0.01   0.04  -0.03    -0.09  -0.03   0.05
     2   6     0.08  -0.11  -0.07    -0.09   0.03   0.01    -0.01  -0.05   0.04
     3   6     0.02  -0.02   0.04     0.04   0.02  -0.04    -0.06   0.03  -0.13
     4   6     0.02  -0.14  -0.06     0.06   0.06   0.04     0.02   0.03  -0.05
     5   6     0.02   0.00   0.01     0.00  -0.04   0.03     0.11   0.06  -0.07
     6   6     0.02   0.05  -0.01    -0.02  -0.01   0.04     0.08  -0.01   0.11
     7   6     0.01   0.00   0.01    -0.08  -0.03  -0.04    -0.02  -0.02   0.00
     8   6    -0.03   0.01   0.02     0.02  -0.00   0.00    -0.00   0.00   0.01
     9   6    -0.04  -0.01  -0.00     0.05   0.01   0.00     0.01   0.00   0.00
    10   6    -0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.06   0.06  -0.06     0.09  -0.01  -0.01    -0.03  -0.04   0.18
    12   6    -0.08  -0.04  -0.01    -0.03  -0.04  -0.05    -0.02   0.08   0.08
    13   8    -0.02  -0.02   0.04    -0.03   0.06   0.01     0.05  -0.15  -0.06
    14   8    -0.01  -0.03  -0.04    -0.06  -0.06   0.01    -0.06   0.14  -0.09
    15   1    -0.10   0.29   0.14     0.11  -0.06  -0.04    -0.02  -0.00   0.13
    16   1    -0.05   0.22   0.17     0.02  -0.12  -0.10    -0.02   0.08  -0.13
    17   1    -0.01   0.22   0.17    -0.02  -0.15  -0.07     0.04   0.07  -0.13
    18   1    -0.05   0.29   0.13     0.07  -0.08  -0.02     0.01  -0.01   0.14
    19   1    -0.03   0.01  -0.03    -0.09  -0.03  -0.02    -0.04  -0.01   0.02
    20   1    -0.01   0.04   0.02    -0.09  -0.03  -0.04    -0.02  -0.04  -0.00
    21   1    -0.06   0.03   0.03     0.07  -0.02  -0.01     0.00   0.01   0.01
    22   1    -0.03  -0.01  -0.01     0.06  -0.00  -0.02     0.01  -0.00  -0.01
    23   1    -0.04  -0.01  -0.00     0.09   0.01  -0.01     0.02   0.00  -0.00
    24   1    -0.06  -0.02  -0.00     0.01  -0.01  -0.03    -0.01  -0.01  -0.01
    25   1     0.03   0.06  -0.02    -0.03  -0.03   0.00    -0.01   0.00  -0.00
    26   1     0.01  -0.01  -0.01    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    27   1     0.01  -0.02  -0.01    -0.01   0.04  -0.00    -0.00   0.01  -0.00
    28   1    -0.04   0.12  -0.02     0.13  -0.02  -0.02    -0.07  -0.11   0.14
    29   6     0.02   0.09   0.02     0.00   0.01   0.00    -0.01  -0.06  -0.00
    30   1     0.53   0.23   0.24     0.70   0.06   0.50     0.45   0.51   0.13
    31   1     0.07   0.04   0.09    -0.09  -0.10  -0.02     0.05   0.19  -0.07
    32   1     0.10   0.25   0.11    -0.06  -0.01   0.01    -0.04  -0.32  -0.16
    33   1     0.04  -0.08   0.07    -0.04   0.14   0.05     0.02   0.00  -0.16
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.4875               715.0433               762.2759
 Red. masses --      5.2470                 3.3663                 3.6730
 Frc consts  --      1.3691                 1.0141                 1.2575
 IR Inten    --      6.5434                32.8880                 4.8961
 RamAct Fr= 1--      5.1262                 1.7485                14.2826
  Dep-P Fr= 1--      0.4723                 0.1163                 0.0398
  Dep-U Fr= 1--      0.6416                 0.2083                 0.0766
 Alpha2 Fr= 1--      0.0286                 0.0294                 0.2890
 Beta2  Fr= 1--      0.5481                 0.0607                 0.1823
 AlphaG Fr= 1--     -0.0175                 0.0422                -0.0192
 Gamma2 Fr= 1--      0.2023                 1.0055                 0.1345
 Delta2 Fr= 1--     -0.3996                 0.3134                -0.1004
 Raman1 Fr= 1--      20.505                  6.994                 57.130
 ROA1   Fr= 1--       6.634                106.556                  9.702
 CID1   Fr= 1--       0.324                 15.235                  0.170
 Raman2 Fr= 1--       6.578                  0.728                  2.187
 ROA2   Fr= 1--       8.053                 21.625                  4.032
 CID2   Fr= 1--       1.224                 29.686                  1.844
 Raman3 Fr= 1--      13.155                  1.457                  4.374
 ROA3   Fr= 1--       6.634                106.556                  9.702
 CID3   Fr= 1--       0.504                 73.139                  2.218
 RC180  Fr= 1--       0.283                 -0.583                 -0.847
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.24   0.14  -0.09    -0.05  -0.10  -0.01    -0.06   0.07   0.10
     2   6    -0.01   0.03  -0.07     0.04   0.07   0.04     0.12  -0.18  -0.09
     3   6     0.21  -0.03   0.15    -0.10   0.02   0.05     0.00  -0.13  -0.01
     4   6     0.01  -0.03   0.07    -0.02  -0.09  -0.06    -0.11   0.18   0.10
     5   6    -0.21  -0.12   0.07    -0.12   0.06  -0.02     0.01  -0.07  -0.12
     6   6    -0.19   0.04  -0.16    -0.07  -0.05  -0.12    -0.06   0.15  -0.03
     7   6    -0.02   0.00  -0.03     0.14   0.09   0.08     0.08  -0.05   0.00
     8   6     0.00  -0.00  -0.01     0.01  -0.01  -0.04    -0.00   0.01   0.06
     9   6     0.01  -0.00  -0.00    -0.02  -0.00  -0.01    -0.08  -0.02  -0.00
    10   6     0.00   0.01  -0.00    -0.00  -0.03  -0.00     0.01   0.07  -0.00
    11   6    -0.02  -0.04   0.13     0.11  -0.03   0.09     0.03  -0.02   0.08
    12   6    -0.02   0.07   0.09     0.20   0.04   0.04     0.07   0.00  -0.04
    13   8     0.03  -0.14  -0.02    -0.04   0.04  -0.07     0.01   0.06  -0.05
    14   8    -0.03   0.13  -0.07    -0.08  -0.06  -0.01    -0.01  -0.06   0.01
    15   1     0.20   0.15  -0.11    -0.15  -0.09  -0.09    -0.18   0.23   0.13
    16   1     0.13  -0.06   0.17    -0.14   0.16   0.13     0.11  -0.31  -0.13
    17   1    -0.16  -0.14   0.10    -0.15   0.19   0.05     0.14  -0.30  -0.20
    18   1    -0.11   0.08  -0.18    -0.17  -0.10  -0.10    -0.19   0.24   0.06
    19   1    -0.05  -0.01  -0.14     0.21   0.07   0.07    -0.01  -0.06  -0.16
    20   1     0.00   0.11  -0.02     0.20   0.05   0.06     0.08   0.11   0.03
    21   1     0.02  -0.01  -0.01    -0.07   0.01  -0.02    -0.05   0.04   0.07
    22   1     0.02  -0.00  -0.00    -0.07   0.02   0.05    -0.10  -0.02  -0.03
    23   1     0.00  -0.00  -0.00    -0.14   0.00   0.02    -0.03  -0.00  -0.01
    24   1     0.00  -0.00   0.00     0.10   0.06   0.07    -0.11  -0.03  -0.03
    25   1    -0.00  -0.01   0.00     0.01  -0.04   0.03     0.02   0.12  -0.04
    26   1    -0.00   0.01  -0.00     0.01   0.02   0.01     0.00   0.01  -0.01
    27   1    -0.00   0.01   0.00     0.00  -0.06   0.02     0.01   0.08  -0.03
    28   1    -0.04  -0.09   0.10     0.05  -0.03   0.10     0.01  -0.09   0.05
    29   6    -0.01  -0.09  -0.00     0.03   0.03   0.02     0.01   0.01   0.02
    30   1     0.15   0.43  -0.05     0.45  -0.06   0.36     0.07  -0.20   0.12
    31   1     0.03   0.11  -0.06    -0.01   0.08  -0.03    -0.04   0.09  -0.06
    32   1    -0.03  -0.30  -0.13    -0.04  -0.11  -0.06    -0.08  -0.18  -0.08
    33   1     0.01  -0.05  -0.12     0.01   0.19  -0.03    -0.01   0.20  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --    798.2735               826.7717               840.8051
 Red. masses --      2.4206                 3.1942                 2.8009
 Frc consts  --      0.9088                 1.2864                 1.1667
 IR Inten    --     16.7094                 9.2373                 0.9870
 RamAct Fr= 1--      8.2462                 6.7921                21.8024
  Dep-P Fr= 1--      0.0552                 0.2125                 0.0376
  Dep-U Fr= 1--      0.1046                 0.3506                 0.0724
 Alpha2 Fr= 1--      0.1609                 0.0892                 0.4436
 Beta2  Fr= 1--      0.1438                 0.3968                 0.2632
 AlphaG Fr= 1--     -0.0341                -0.0765                 0.0654
 Gamma2 Fr= 1--     -0.8700                 1.4843                 1.5653
 Delta2 Fr= 1--     -0.7529                 0.8048                 0.1545
 Raman1 Fr= 1--      32.985                 27.168                 87.210
 ROA1   Fr= 1--    -107.614                168.247                155.212
 CID1   Fr= 1--      -3.263                  6.193                  1.780
 Raman2 Fr= 1--       1.725                  4.762                  3.159
 ROA2   Fr= 1--     -14.858                 29.185                 36.331
 CID2   Fr= 1--      -8.611                  6.128                 11.502
 Raman3 Fr= 1--       3.451                  9.524                  6.317
 ROA3   Fr= 1--    -107.614                168.247                155.212
 CID3   Fr= 1--     -31.184                 17.665                 24.569
 RC180  Fr= 1--      -0.791                 -0.299                 -0.855
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.06     0.03  -0.00   0.03     0.06  -0.04   0.03
     2   6     0.01   0.02   0.01     0.00  -0.05  -0.04    -0.03   0.08   0.05
     3   6     0.00   0.03   0.10     0.05  -0.04   0.04     0.06  -0.03   0.06
     4   6    -0.02  -0.07  -0.04    -0.06   0.08   0.04    -0.03  -0.05  -0.03
     5   6     0.02   0.07   0.01     0.05  -0.01  -0.01     0.04   0.06  -0.05
     6   6     0.03   0.05  -0.01     0.04   0.02   0.01     0.03   0.02  -0.05
     7   6    -0.03  -0.12  -0.09    -0.13   0.11   0.02    -0.12  -0.05  -0.07
     8   6    -0.00  -0.00   0.09    -0.03   0.05  -0.10    -0.01   0.00   0.01
     9   6    -0.05  -0.01   0.02     0.12   0.05  -0.01     0.03   0.01   0.02
    10   6     0.02   0.10   0.00    -0.04  -0.17   0.01     0.00   0.00   0.00
    11   6    -0.05   0.02  -0.08    -0.10   0.04  -0.06    -0.12  -0.03   0.16
    12   6     0.16   0.04   0.11     0.20   0.05   0.09    -0.02  -0.01  -0.12
    13   8    -0.05  -0.01  -0.02    -0.04   0.01  -0.05     0.05   0.07  -0.07
    14   8    -0.04  -0.01  -0.03    -0.04  -0.04  -0.02     0.03  -0.09   0.02
    15   1     0.10  -0.38  -0.19    -0.02   0.16   0.13     0.05   0.02   0.08
    16   1     0.16  -0.25  -0.09     0.11  -0.04   0.02     0.08   0.27   0.18
    17   1     0.17  -0.17  -0.06     0.11  -0.03   0.03     0.07   0.13   0.03
    18   1     0.14  -0.29  -0.20     0.02   0.20   0.10     0.02  -0.07  -0.08
    19   1    -0.03  -0.14  -0.16    -0.22   0.18   0.25    -0.11  -0.04  -0.02
    20   1    -0.05  -0.02  -0.07    -0.20  -0.10  -0.00    -0.13  -0.08  -0.07
    21   1     0.09  -0.03   0.06    -0.06   0.03  -0.09     0.09  -0.03  -0.02
    22   1    -0.05  -0.04  -0.10     0.24   0.05   0.10     0.08  -0.01  -0.04
    23   1     0.15   0.01  -0.03    -0.05  -0.03   0.02     0.15   0.00  -0.01
    24   1    -0.22  -0.08  -0.11     0.19   0.03   0.09    -0.09  -0.05  -0.06
    25   1     0.00   0.16  -0.07     0.01  -0.19   0.08    -0.01   0.01  -0.01
    26   1    -0.01  -0.02  -0.02     0.03  -0.03   0.03    -0.00  -0.01  -0.00
    27   1     0.01   0.17  -0.07    -0.01  -0.31   0.10    -0.00   0.01  -0.00
    28   1    -0.12   0.13   0.01    -0.22   0.14   0.04    -0.13  -0.16   0.08
    29   6    -0.01  -0.02  -0.03    -0.04  -0.06  -0.03    -0.02   0.08   0.07
    30   1     0.12   0.06   0.06     0.11  -0.05   0.08    -0.00  -0.33   0.09
    31   1     0.06  -0.06   0.06     0.07  -0.04   0.05     0.12   0.55  -0.02
    32   1     0.07   0.16   0.07     0.07   0.10   0.05     0.04  -0.24  -0.14
    33   1     0.01  -0.22   0.02     0.00  -0.30  -0.01     0.06   0.01  -0.17
                     31                     32                     33
                      A                      A                      A
 Frequencies --    852.4731               856.4455               874.0173
 Red. masses --      1.4927                 2.3570                 1.8588
 Frc consts  --      0.6391                 1.0186                 0.8366
 IR Inten    --      1.4285                 2.9442                15.4538
 RamAct Fr= 1--      3.9853                 9.0329                 2.5564
  Dep-P Fr= 1--      0.2810                 0.1907                 0.1108
  Dep-U Fr= 1--      0.4387                 0.3204                 0.1995
 Alpha2 Fr= 1--      0.0432                 0.1257                 0.0436
 Beta2  Fr= 1--      0.2914                 0.4823                 0.0850
 AlphaG Fr= 1--     -0.0489                -0.0265                -0.0642
 Gamma2 Fr= 1--     -0.1446                 0.8425                -1.4795
 Delta2 Fr= 1--     -0.6443                 0.2293                -0.5570
 Raman1 Fr= 1--      15.941                 36.131                 10.226
 ROA1   Fr= 1--     -34.496                 88.213               -159.856
 CID1   Fr= 1--      -2.164                  2.441                -15.633
 Raman2 Fr= 1--       3.496                  5.788                  1.020
 ROA2   Fr= 1--       1.685                 18.385                -31.052
 CID2   Fr= 1--       0.482                  3.177                -30.436
 Raman3 Fr= 1--       6.993                 11.575                  2.040
 ROA3   Fr= 1--     -34.496                 88.213               -159.856
 CID3   Fr= 1--      -4.933                  7.621                -78.342
 RC180  Fr= 1--      -0.123                 -0.359                 -0.601
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.08    -0.03  -0.09   0.08    -0.00  -0.08   0.03
     2   6    -0.02   0.03   0.01     0.02  -0.01  -0.00    -0.03   0.10   0.05
     3   6     0.02  -0.06  -0.08     0.02  -0.07   0.09     0.03  -0.07   0.03
     4   6    -0.00   0.03   0.02    -0.01  -0.04  -0.02    -0.03   0.08   0.04
     5   6    -0.02   0.01   0.06     0.01   0.13  -0.06     0.03  -0.04  -0.07
     6   6    -0.01   0.02   0.06    -0.03   0.11  -0.07     0.02  -0.06  -0.07
     7   6     0.03  -0.03   0.01    -0.08   0.01  -0.02    -0.04  -0.02  -0.09
     8   6     0.01  -0.02   0.01    -0.03   0.03  -0.03     0.01  -0.02   0.03
     9   6    -0.03  -0.01   0.00     0.05   0.03   0.00    -0.03  -0.01   0.02
    10   6     0.01   0.04  -0.00    -0.02  -0.06   0.01     0.01   0.05   0.01
    11   6    -0.04   0.02  -0.02     0.13  -0.02  -0.03     0.06   0.02  -0.04
    12   6     0.05   0.01   0.02    -0.08  -0.02   0.01     0.02   0.00   0.03
    13   8    -0.01   0.01  -0.01    -0.00  -0.03   0.05    -0.01  -0.02   0.02
    14   8    -0.01  -0.01  -0.01    -0.00   0.06   0.00    -0.01   0.02  -0.01
    15   1    -0.12   0.49   0.24    -0.16   0.10   0.13    -0.11   0.17   0.15
    16   1    -0.21   0.48   0.25     0.04   0.15   0.18    -0.01   0.23   0.18
    17   1     0.06  -0.31  -0.13     0.23  -0.32  -0.25    -0.09   0.41   0.19
    18   1     0.14  -0.30  -0.13     0.03  -0.39  -0.30    -0.17   0.41   0.20
    19   1     0.08  -0.05  -0.07    -0.15   0.04   0.05     0.09  -0.02   0.09
    20   1     0.05   0.04   0.01    -0.12  -0.03  -0.02    -0.05  -0.21  -0.11
    21   1     0.00  -0.00   0.02    -0.02   0.02  -0.03     0.18  -0.10  -0.02
    22   1    -0.07  -0.01  -0.02     0.14   0.02   0.03    -0.07  -0.03  -0.09
    23   1    -0.00   0.01  -0.00     0.02  -0.02   0.00     0.18   0.03  -0.02
    24   1    -0.02   0.00  -0.01     0.02  -0.02   0.01    -0.15  -0.03  -0.11
    25   1    -0.01   0.02  -0.01     0.01  -0.05   0.02     0.00   0.10  -0.06
    26   1    -0.01   0.03  -0.00     0.02  -0.02   0.01    -0.01  -0.06  -0.01
    27   1     0.00   0.10  -0.02    -0.00  -0.13   0.03     0.01   0.10  -0.05
    28   1    -0.07   0.05   0.01     0.20  -0.05  -0.07     0.05   0.04  -0.02
    29   6    -0.02  -0.03  -0.01     0.05   0.02  -0.01     0.02  -0.05  -0.03
    30   1     0.02  -0.02   0.02    -0.04   0.15  -0.06     0.01   0.08  -0.01
    31   1     0.02  -0.02   0.02    -0.11  -0.21  -0.04    -0.08  -0.24  -0.02
    32   1     0.03   0.03   0.02    -0.09   0.01   0.02    -0.05   0.02   0.04
    33   1    -0.00  -0.13   0.00    -0.03   0.28   0.08    -0.04   0.08   0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.7513               935.9746               954.5925
 Red. masses --      1.5352                 1.1989                 1.5936
 Frc consts  --      0.7290                 0.6188                 0.8556
 IR Inten    --      2.4651                 1.8143                 0.5134
 RamAct Fr= 1--      2.6906                 1.2240                 4.1276
  Dep-P Fr= 1--      0.7497                 0.5125                 0.6697
  Dep-U Fr= 1--      0.8570                 0.6777                 0.8022
 Alpha2 Fr= 1--      0.0000                 0.0057                 0.0059
 Beta2  Fr= 1--      0.3843                 0.1383                 0.5519
 AlphaG Fr= 1--     -0.0001                 0.0170                 0.0414
 Gamma2 Fr= 1--     -0.6184                -0.3167                -0.2795
 Delta2 Fr= 1--     -0.4245                -0.7497                 0.6027
 Raman1 Fr= 1--      10.762                  4.896                 16.511
 ROA1   Fr= 1--     -72.954                -54.393                 -7.541
 CID1   Fr= 1--      -6.779                -11.110                 -0.457
 Raman2 Fr= 1--       4.612                  1.659                  6.622
 ROA2   Fr= 1--     -11.446                 -1.603                -11.529
 CID2   Fr= 1--      -2.482                 -0.966                 -1.741
 Raman3 Fr= 1--       9.223                  3.318                 13.245
 ROA3   Fr= 1--     -72.954                -54.393                 -7.541
 CID3   Fr= 1--      -7.910                -16.393                 -0.569
 RC180  Fr= 1--       0.714                  0.355                  0.604
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.01    -0.00  -0.00   0.00    -0.03   0.08   0.03
     2   6    -0.02   0.03   0.03    -0.01   0.01   0.00     0.02  -0.00   0.00
     3   6    -0.01  -0.01   0.02     0.00  -0.01   0.01     0.01  -0.08  -0.07
     4   6    -0.01   0.01   0.02    -0.00   0.00   0.00    -0.00   0.02   0.02
     5   6     0.05   0.01  -0.03     0.01   0.00  -0.01    -0.01  -0.02   0.00
     6   6     0.02   0.01  -0.05     0.00   0.00  -0.01    -0.00   0.00  -0.00
     7   6    -0.06  -0.10   0.12    -0.02  -0.00   0.01     0.06  -0.07  -0.02
     8   6     0.01  -0.04  -0.03     0.05   0.01  -0.00    -0.08   0.06   0.01
     9   6     0.03  -0.00  -0.01    -0.04   0.03  -0.07     0.05   0.07   0.01
    10   6     0.03   0.03  -0.06     0.07   0.00   0.05    -0.05  -0.04   0.02
    11   6     0.01   0.01  -0.01     0.00   0.00   0.00     0.00   0.01   0.00
    12   6     0.01   0.00   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.04   0.02  -0.02     0.00  -0.01  -0.00     0.14  -0.45  -0.28
    16   1    -0.03   0.01   0.04     0.00   0.02   0.02    -0.20   0.47   0.26
    17   1     0.05   0.16   0.09     0.01   0.03   0.02    -0.04   0.07   0.05
    18   1    -0.01   0.13   0.01     0.00   0.01  -0.00     0.00  -0.01  -0.01
    19   1    -0.11  -0.20  -0.46    -0.05   0.00   0.00     0.05  -0.09  -0.14
    20   1    -0.01   0.46   0.19    -0.03   0.02   0.01     0.15   0.03  -0.02
    21   1    -0.18   0.23   0.05    -0.21  -0.28   0.00    -0.14   0.05   0.02
    22   1     0.03   0.01   0.04     0.29   0.04   0.19     0.35   0.04   0.07
    23   1    -0.09  -0.01   0.02    -0.41  -0.22  -0.01     0.02  -0.09  -0.00
    24   1     0.13   0.02   0.08     0.02  -0.11   0.14    -0.11  -0.11   0.01
    25   1    -0.05  -0.27   0.16    -0.15  -0.07  -0.13     0.05   0.12  -0.03
    26   1    -0.03   0.35   0.02    -0.19  -0.40   0.01     0.04  -0.07  -0.00
    27   1    -0.04   0.11   0.11    -0.02   0.44  -0.21     0.01  -0.21   0.02
    28   1     0.02   0.03   0.00     0.00   0.00   0.00     0.01   0.03   0.01
    29   6     0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.00  -0.02  -0.01
    30   1     0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   1    -0.01  -0.07   0.00    -0.00  -0.01   0.00    -0.01  -0.05  -0.00
    32   1    -0.00   0.03   0.02     0.00   0.00   0.00    -0.01   0.01   0.01
    33   1    -0.01  -0.01   0.02    -0.00  -0.00   0.00    -0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    960.5708               971.7720               978.2021
 Red. masses --      1.6253                 1.4883                 1.3889
 Frc consts  --      0.8836                 0.8281                 0.7830
 IR Inten    --      0.1020                 0.0390                 0.1205
 RamAct Fr= 1--      2.4074                 2.3474                 0.7390
  Dep-P Fr= 1--      0.6878                 0.6384                 0.6680
  Dep-U Fr= 1--      0.8150                 0.7793                 0.8009
 Alpha2 Fr= 1--      0.0026                 0.0047                 0.0011
 Beta2  Fr= 1--      0.3270                 0.3049                 0.0986
 AlphaG Fr= 1--     -0.0087                 0.0150                 0.0094
 Gamma2 Fr= 1--     -1.6319                -1.0352                 0.8384
 Delta2 Fr= 1--     -0.4986                -0.0862                -0.2393
 Raman1 Fr= 1--       9.629                  9.390                  2.956
 ROA1   Fr= 1--    -172.615               -102.139                 72.834
 CID1   Fr= 1--     -17.926                -10.878                 24.641
 Raman2 Fr= 1--       3.924                  3.659                  1.184
 ROA2   Fr= 1--     -35.176                -24.156                 22.037
 CID2   Fr= 1--      -8.964                 -6.602                 18.616
 Raman3 Fr= 1--       7.848                  7.317                  2.367
 ROA3   Fr= 1--    -172.615               -102.139                 72.834
 CID3   Fr= 1--     -21.994                -13.959                 30.765
 RC180  Fr= 1--       0.630                  0.559                  0.602
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07  -0.06     0.00  -0.01  -0.00    -0.01   0.00   0.01
     2   6     0.01   0.03   0.02    -0.01   0.00   0.00     0.01  -0.02  -0.01
     3   6    -0.04   0.08   0.02     0.00   0.00   0.01     0.00  -0.00   0.00
     4   6     0.00  -0.01   0.00    -0.00   0.00   0.00     0.00   0.02   0.01
     5   6    -0.00  -0.04  -0.01     0.01  -0.01  -0.02     0.03  -0.10  -0.06
     6   6    -0.01   0.02   0.01    -0.00   0.01  -0.00    -0.03   0.10   0.05
     7   6     0.06  -0.09  -0.03    -0.01  -0.02   0.00    -0.01   0.03   0.01
     8   6    -0.08   0.06   0.01    -0.07  -0.07   0.00     0.03   0.00  -0.00
     9   6     0.04   0.09   0.02     0.12  -0.04  -0.04    -0.02  -0.02  -0.00
    10   6    -0.04  -0.03   0.02    -0.06   0.11   0.03     0.01  -0.01  -0.01
    11   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.02   0.01
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.16   0.46   0.23    -0.01   0.03   0.02     0.01  -0.06  -0.02
    16   1     0.10  -0.39  -0.24     0.02  -0.02  -0.00    -0.00   0.04   0.02
    17   1    -0.07   0.16   0.10    -0.01   0.09   0.04    -0.20   0.58   0.30
    18   1     0.03  -0.10  -0.05     0.02  -0.05  -0.04     0.18  -0.56  -0.31
    19   1     0.10  -0.12  -0.16    -0.02  -0.03  -0.03    -0.05   0.05   0.07
    20   1     0.18   0.01  -0.04    -0.03   0.00   0.01    -0.05  -0.00   0.01
    21   1    -0.13   0.04   0.02    -0.23  -0.23   0.01     0.06   0.03  -0.01
    22   1     0.40   0.04   0.05    -0.19   0.04   0.12    -0.10  -0.01  -0.03
    23   1     0.06  -0.10  -0.01    -0.17   0.09   0.05    -0.00   0.02  -0.00
    24   1    -0.19  -0.15  -0.02     0.51   0.22   0.18    -0.00   0.02  -0.01
    25   1     0.04   0.10  -0.03     0.14   0.52  -0.17    -0.02  -0.08   0.03
    26   1     0.02  -0.08  -0.00     0.11  -0.13  -0.05    -0.01   0.03   0.01
    27   1     0.01  -0.17   0.01     0.07  -0.18  -0.11    -0.01   0.03   0.01
    28   1     0.00   0.00   0.01     0.00   0.01   0.01     0.01   0.05   0.03
    29   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.02  -0.01
    30   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   1     0.00   0.00   0.00     0.00  -0.01   0.00    -0.01  -0.05   0.00
    32   1     0.01   0.01   0.00     0.00   0.00   0.00     0.00   0.01   0.01
    33   1     0.00  -0.00  -0.00    -0.00  -0.01   0.00    -0.01  -0.03   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.7985              1046.2099              1084.0010
 Red. masses --      1.9238                 2.8154                 2.1082
 Frc consts  --      1.1673                 1.8156                 1.4596
 IR Inten    --      2.6223                 4.1554                64.6854
 RamAct Fr= 1--     11.2289                 0.0307                 2.3860
  Dep-P Fr= 1--      0.2712                 0.7496                 0.7163
  Dep-U Fr= 1--      0.4267                 0.8569                 0.8347
 Alpha2 Fr= 1--      0.1253                 0.0000                 0.0014
 Beta2  Fr= 1--      0.7986                 0.0044                 0.3319
 AlphaG Fr= 1--      0.0249                 0.0000                 0.0135
 Gamma2 Fr= 1--     -0.2076                -0.1610                -2.1180
 Delta2 Fr= 1--     -1.5776                 0.1341                 0.4418
 Raman1 Fr= 1--      44.915                  0.123                  9.544
 ROA1   Fr= 1--     -70.407                -11.163               -189.196
 CID1   Fr= 1--      -1.568                -90.783                -19.824
 Raman2 Fr= 1--       9.583                  0.053                  3.983
 ROA2   Fr= 1--       7.639                 -4.936                -54.367
 CID2   Fr= 1--       0.797                -93.694                -13.649
 Raman3 Fr= 1--      19.166                  0.105                  7.966
 ROA3   Fr= 1--     -70.407                -11.163               -189.196
 CID3   Fr= 1--      -3.674               -105.946                -23.749
 RC180  Fr= 1--      -0.147                  0.714                  0.669
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.03     0.05   0.11  -0.17    -0.05  -0.03   0.02
     2   6     0.00   0.01  -0.01    -0.03  -0.01  -0.00     0.00   0.01  -0.04
     3   6     0.00  -0.02   0.01     0.01  -0.09   0.17     0.02  -0.02   0.05
     4   6    -0.07   0.02  -0.03    -0.04  -0.01  -0.00     0.05   0.02  -0.03
     5   6     0.01  -0.04   0.02     0.05   0.11  -0.17    -0.02  -0.00   0.00
     6   6     0.04  -0.01   0.07     0.00  -0.09   0.17     0.01  -0.01   0.03
     7   6    -0.01  -0.00  -0.00     0.01   0.00   0.01     0.02   0.01  -0.03
     8   6    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.02  -0.01   0.03
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.01   0.01  -0.01
    10   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.00  -0.02
    11   6    -0.04  -0.11  -0.14     0.01   0.00   0.03     0.05   0.18  -0.08
    12   6     0.06   0.01   0.06    -0.01   0.00  -0.00    -0.04   0.07   0.03
    13   8    -0.03  -0.02   0.02     0.00   0.00  -0.01    -0.00   0.00   0.00
    14   8    -0.02   0.03  -0.00     0.00  -0.00   0.00     0.02  -0.10   0.02
    15   1     0.01   0.01  -0.06    -0.20   0.14  -0.37    -0.19  -0.01  -0.08
    16   1     0.00   0.05   0.04    -0.29  -0.24   0.24     0.08  -0.01   0.03
    17   1    -0.02   0.10   0.12    -0.19   0.14  -0.36    -0.17  -0.00  -0.14
    18   1     0.13  -0.04   0.02    -0.30  -0.24   0.25     0.05   0.01   0.02
    19   1     0.02  -0.01  -0.01     0.00   0.01   0.01     0.22  -0.03   0.01
    20   1    -0.04   0.01   0.01     0.09  -0.01  -0.01    -0.20  -0.02   0.01
    21   1    -0.03   0.01   0.01     0.02  -0.01  -0.01    -0.13   0.08   0.07
    22   1     0.01   0.00   0.01    -0.00  -0.00  -0.01     0.05   0.02   0.04
    23   1    -0.02  -0.00   0.00     0.02   0.00  -0.00    -0.06  -0.02   0.00
    24   1     0.02   0.00   0.01    -0.02  -0.00  -0.01     0.04  -0.01   0.04
    25   1    -0.00  -0.02   0.01     0.00   0.02  -0.01    -0.01  -0.08   0.05
    26   1    -0.00   0.02   0.00     0.00  -0.02  -0.00    -0.01   0.11   0.00
    27   1    -0.00   0.01   0.01     0.00  -0.01  -0.00    -0.01   0.02   0.04
    28   1    -0.24  -0.50  -0.33     0.06   0.08   0.06     0.15  -0.10  -0.28
    29   6     0.08   0.10   0.07     0.01  -0.01  -0.02    -0.05  -0.10   0.08
    30   1    -0.01   0.07  -0.01    -0.00  -0.01   0.00     0.01   0.27  -0.12
    31   1    -0.11   0.19  -0.12    -0.01  -0.09   0.01     0.03   0.33  -0.06
    32   1    -0.13  -0.23  -0.10    -0.00   0.07   0.03     0.02  -0.48  -0.18
    33   1     0.03   0.54  -0.07    -0.01  -0.01   0.04     0.04  -0.12  -0.24
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.2443              1106.9971              1138.3399
 Red. masses --      1.5699                 1.8126                 2.1664
 Frc consts  --      1.1136                 1.3087                 1.6540
 IR Inten    --     13.5013                30.6344                 2.9823
 RamAct Fr= 1--      2.3063                 5.0049                20.3941
  Dep-P Fr= 1--      0.5512                 0.1093                 0.3583
  Dep-U Fr= 1--      0.7107                 0.1970                 0.5276
 Alpha2 Fr= 1--      0.0088                 0.0857                 0.1742
 Beta2  Fr= 1--      0.2732                 0.1644                 1.7933
 AlphaG Fr= 1--     -0.0070                 0.0584                -0.0649
 Gamma2 Fr= 1--      1.4031                -0.1409                 1.6258
 Delta2 Fr= 1--      1.7478                 0.7859                 0.9974
 Raman1 Fr= 1--       9.225                 20.020                 81.576
 ROA1   Fr= 1--     190.627                 11.617                187.992
 CID1   Fr= 1--      20.664                  0.580                  2.304
 Raman2 Fr= 1--       3.278                  1.972                 21.520
 ROA2   Fr= 1--      19.692                 -9.670                 31.039
 CID2   Fr= 1--       6.007                 -4.903                  1.442
 Raman3 Fr= 1--       6.556                  3.945                 43.039
 ROA3   Fr= 1--     190.627                 11.617                187.992
 CID3   Fr= 1--      29.076                  2.945                  4.368
 RC180  Fr= 1--       0.421                 -0.606                  0.055
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.02     0.02   0.02  -0.03    -0.03  -0.03   0.00
     2   6    -0.02  -0.02   0.04    -0.01  -0.01   0.05    -0.03   0.05   0.00
     3   6    -0.01  -0.00  -0.02    -0.03   0.01  -0.02     0.03  -0.01   0.03
     4   6     0.03   0.02   0.06    -0.03  -0.04  -0.01     0.02   0.02  -0.01
     5   6     0.03   0.01  -0.03     0.02   0.01   0.02    -0.02  -0.01  -0.00
     6   6    -0.02   0.02  -0.05     0.01   0.01  -0.03     0.02  -0.01   0.00
     7   6    -0.00  -0.02   0.04    -0.02  -0.03   0.07     0.04  -0.09  -0.05
     8   6     0.03   0.02  -0.05     0.04   0.04  -0.07     0.14   0.17   0.07
     9   6    -0.02  -0.01   0.02    -0.02  -0.02   0.02    -0.06  -0.06  -0.10
    10   6    -0.01  -0.01   0.03    -0.02  -0.01   0.05    -0.07  -0.07   0.04
    11   6     0.06  -0.06  -0.08    -0.03   0.13   0.00    -0.00  -0.00   0.00
    12   6     0.02  -0.00   0.02    -0.03   0.06   0.01     0.01  -0.03  -0.01
    13   8    -0.02  -0.02   0.03     0.01   0.02  -0.03    -0.00  -0.00   0.01
    14   8    -0.01   0.01   0.00     0.01  -0.07   0.01    -0.00   0.03  -0.01
    15   1     0.04   0.01   0.02     0.08   0.02   0.01    -0.18   0.04  -0.07
    16   1    -0.17  -0.03   0.04    -0.12  -0.07  -0.02     0.16   0.06   0.00
    17   1     0.08   0.06   0.05     0.18  -0.04   0.12    -0.14   0.01  -0.10
    18   1    -0.12  -0.01  -0.02     0.02   0.04  -0.02     0.15   0.12   0.00
    19   1    -0.27   0.03  -0.02    -0.42   0.04  -0.05    -0.21  -0.02  -0.04
    20   1     0.28   0.04   0.00     0.38   0.07   0.01    -0.10   0.08   0.00
    21   1     0.17  -0.07  -0.09     0.24  -0.08  -0.12     0.13   0.46   0.12
    22   1    -0.07  -0.02  -0.05    -0.11  -0.03  -0.07    -0.24   0.01   0.10
    23   1     0.07   0.03  -0.00     0.09   0.04  -0.00    -0.41   0.01   0.00
    24   1    -0.05   0.01  -0.05    -0.06   0.02  -0.07     0.20   0.07   0.09
    25   1     0.01   0.11  -0.06     0.02   0.15  -0.08     0.09   0.11   0.02
    26   1     0.02  -0.15  -0.00     0.03  -0.22  -0.00     0.09  -0.14   0.00
    27   1     0.02  -0.05  -0.05     0.03  -0.07  -0.08     0.01  -0.30   0.04
    28   1     0.33  -0.18  -0.22    -0.11   0.04  -0.03    -0.08   0.02   0.04
    29   6    -0.10   0.05   0.03     0.07  -0.08   0.02    -0.01   0.00   0.00
    30   1    -0.00   0.10  -0.03     0.00   0.13  -0.07     0.00  -0.09   0.04
    31   1     0.18   0.42   0.09    -0.16  -0.19  -0.13     0.01   0.02   0.01
    32   1     0.21   0.02  -0.05    -0.18  -0.25  -0.04     0.01   0.00  -0.00
    33   1     0.04  -0.37  -0.15    -0.01   0.31   0.01     0.00  -0.02  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.3705              1161.5098              1193.8617
 Red. masses --      1.5710                 2.0470                 1.7705
 Frc consts  --      1.2207                 1.6271                 1.4868
 IR Inten    --     51.5400               152.8042                 9.1549
 RamAct Fr= 1--      1.5084                 1.4760                 2.8834
  Dep-P Fr= 1--      0.4812                 0.7166                 0.5816
  Dep-U Fr= 1--      0.6498                 0.8349                 0.7354
 Alpha2 Fr= 1--      0.0081                 0.0009                 0.0091
 Beta2  Fr= 1--      0.1634                 0.2054                 0.3534
 AlphaG Fr= 1--     -0.0083                 0.0056                -0.0061
 Gamma2 Fr= 1--     -1.7378                -1.4629                 1.6598
 Delta2 Fr= 1--     -1.0465                -0.5310                -0.3862
 Raman1 Fr= 1--       6.034                  5.904                 11.533
 ROA1   Fr= 1--    -200.319               -157.435                146.977
 CID1   Fr= 1--     -33.201                -26.665                 12.744
 Raman2 Fr= 1--       1.960                  2.465                  4.241
 ROA2   Fr= 1--     -33.336                -30.862                 42.924
 CID2   Fr= 1--     -17.006                -12.522                 10.121
 Raman3 Fr= 1--       3.920                  4.929                  8.482
 ROA3   Fr= 1--    -200.319               -157.435                146.977
 CID3   Fr= 1--     -51.096                -31.938                 17.328
 RC180  Fr= 1--       0.300                  0.670                  0.471
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.02   0.01    -0.03  -0.00  -0.01     0.00  -0.00   0.00
     2   6    -0.01   0.00   0.01     0.01   0.00  -0.00     0.01   0.00  -0.01
     3   6    -0.05   0.00  -0.04     0.04   0.01  -0.01    -0.00  -0.00   0.00
     4   6    -0.04  -0.02   0.02    -0.05  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.05   0.02  -0.01    -0.05  -0.02  -0.01    -0.00  -0.00   0.00
     6   6    -0.05  -0.01  -0.01     0.05   0.00   0.02    -0.00  -0.00   0.01
     7   6     0.02  -0.00  -0.07    -0.01  -0.01   0.02    -0.03   0.02   0.05
     8   6     0.02   0.03   0.07     0.00   0.00  -0.02     0.15  -0.12   0.01
     9   6    -0.01  -0.01  -0.05    -0.00  -0.00   0.01    -0.06   0.09  -0.04
    10   6    -0.01  -0.02  -0.02    -0.00   0.00   0.01    -0.10   0.04  -0.04
    11   6    -0.00  -0.02   0.00     0.00  -0.12   0.05     0.00  -0.00   0.00
    12   6    -0.02   0.08   0.03    -0.05   0.15   0.05    -0.00   0.00   0.00
    13   8     0.01   0.01  -0.02     0.02   0.02  -0.05     0.00   0.00  -0.00
    14   8     0.00  -0.07   0.02     0.01  -0.12   0.05     0.00  -0.00   0.00
    15   1     0.42  -0.01   0.29    -0.18   0.01  -0.13     0.02  -0.00   0.02
    16   1    -0.29  -0.10   0.02     0.34   0.18  -0.07    -0.01  -0.00   0.00
    17   1     0.30   0.01   0.19    -0.24   0.01  -0.14    -0.02  -0.00  -0.01
    18   1    -0.35  -0.14   0.06     0.30   0.12  -0.03    -0.01  -0.02   0.01
    19   1     0.14  -0.00   0.05    -0.05  -0.00  -0.02     0.04  -0.00   0.01
    20   1    -0.21  -0.06  -0.04     0.05   0.02   0.01    -0.23   0.11   0.10
    21   1    -0.07   0.18   0.11     0.02  -0.02  -0.02     0.34  -0.27  -0.05
    22   1    -0.03   0.02   0.08    -0.01  -0.01  -0.02     0.34   0.04   0.06
    23   1    -0.19  -0.02   0.00     0.03   0.01   0.00    -0.18  -0.25  -0.06
    24   1     0.11   0.01   0.07    -0.01   0.00  -0.01    -0.23  -0.21   0.05
    25   1     0.02  -0.06   0.06    -0.00   0.02  -0.01     0.18   0.29   0.04
    26   1     0.02   0.10   0.00    -0.00  -0.04   0.00     0.23   0.21  -0.06
    27   1    -0.01  -0.06   0.07     0.00   0.00  -0.02     0.01  -0.35   0.05
    28   1     0.18  -0.07  -0.07     0.30  -0.17  -0.06     0.00  -0.00  -0.00
    29   6     0.01   0.01  -0.02     0.01   0.06  -0.07     0.00   0.00  -0.00
    30   1    -0.01   0.22  -0.09    -0.03   0.43  -0.19    -0.00   0.01  -0.00
    31   1    -0.01  -0.06   0.00     0.04  -0.18   0.06     0.00  -0.00   0.00
    32   1    -0.00   0.08   0.03     0.04   0.32   0.09    -0.00   0.00   0.00
    33   1    -0.01   0.01   0.04    -0.03  -0.07   0.14    -0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1211.9091              1221.8476              1236.4767
 Red. masses --      1.2765                 2.1191                 2.3417
 Frc consts  --      1.1046                 1.8640                 2.1094
 IR Inten    --      3.1718                10.3187                 1.3854
 RamAct Fr= 1--     47.3772                34.3618                31.5032
  Dep-P Fr= 1--      0.0959                 0.1411                 0.1210
  Dep-U Fr= 1--      0.1750                 0.2473                 0.2158
 Alpha2 Fr= 1--      0.8379                 0.5433                 0.5238
 Beta2  Fr= 1--      1.3818                 1.4163                 1.1333
 AlphaG Fr= 1--     -0.0846                -0.0309                -0.1062
 Gamma2 Fr= 1--      1.2065                 0.6553                -1.6777
 Delta2 Fr= 1--      0.3792                 0.0215                 0.1516
 Raman1 Fr= 1--     189.509                137.447                126.013
 ROA1   Fr= 1--     127.957                 63.595               -156.204
 CID1   Fr= 1--       0.675                  0.463                 -1.240
 Raman2 Fr= 1--      16.582                 16.996                 13.600
 ROA2   Fr= 1--      25.922                 15.556                -41.477
 CID2   Fr= 1--       1.563                  0.915                 -3.050
 Raman3 Fr= 1--      33.164                 33.992                 27.199
 ROA3   Fr= 1--     127.957                 63.595               -156.204
 CID3   Fr= 1--       3.858                  1.871                 -5.743
 RC180  Fr= 1--      -0.650                 -0.505                 -0.568
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02  -0.04    -0.08  -0.03   0.02     0.05  -0.00   0.03
     2   6     0.04   0.01   0.01    -0.04  -0.01  -0.02     0.27   0.08   0.05
     3   6     0.02   0.03  -0.04     0.06   0.00   0.03    -0.07   0.01  -0.06
     4   6    -0.10  -0.03  -0.01     0.21   0.06   0.02     0.04   0.02  -0.01
     5   6     0.01  -0.02   0.03     0.08   0.01   0.04    -0.07  -0.05   0.04
     6   6    -0.01  -0.02   0.04    -0.10  -0.01  -0.04     0.03   0.00   0.01
     7   6    -0.02  -0.00  -0.01     0.02   0.01   0.02    -0.09  -0.04  -0.03
     8   6     0.00   0.00   0.00     0.00   0.00  -0.02     0.00   0.01  -0.06
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.01     0.01  -0.01   0.02
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.01     0.00  -0.00   0.03
    11   6     0.04   0.02   0.01    -0.08  -0.05  -0.01     0.01  -0.01   0.00
    12   6     0.00  -0.01  -0.00    -0.01   0.03   0.00    -0.01   0.00  -0.00
    13   8    -0.00  -0.00   0.01     0.01   0.01  -0.03     0.00   0.00  -0.00
    14   8     0.00   0.01  -0.01    -0.00  -0.04   0.02    -0.00  -0.01   0.01
    15   1    -0.29   0.06  -0.27    -0.40  -0.00  -0.23    -0.16   0.03  -0.14
    16   1     0.48   0.25  -0.16     0.04  -0.01   0.05    -0.39  -0.14   0.02
    17   1     0.37  -0.05   0.32     0.21   0.00   0.13    -0.30  -0.03  -0.14
    18   1    -0.36  -0.19   0.13    -0.48  -0.18   0.04    -0.29  -0.15   0.11
    19   1    -0.04  -0.00  -0.01     0.08  -0.02  -0.03    -0.23  -0.02  -0.05
    20   1    -0.06  -0.01  -0.00     0.02   0.01   0.02    -0.54   0.09   0.06
    21   1    -0.00   0.01   0.00     0.01   0.02  -0.01    -0.06   0.08  -0.04
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.02    -0.05  -0.02  -0.06
    23   1    -0.01  -0.00  -0.00     0.02   0.00  -0.00     0.07   0.04   0.01
    24   1     0.01   0.00   0.00    -0.02  -0.00  -0.01    -0.02   0.03  -0.05
    25   1     0.00   0.00   0.00    -0.00   0.03  -0.02    -0.03   0.05  -0.05
    26   1     0.00   0.00  -0.00     0.00  -0.04   0.00    -0.01  -0.12   0.01
    27   1    -0.00  -0.00   0.00     0.01  -0.01  -0.02     0.02   0.02  -0.07
    28   1     0.21   0.08   0.00    -0.48  -0.21  -0.01    -0.13  -0.05   0.01
    29   6    -0.01  -0.01   0.01     0.02   0.03  -0.03    -0.01   0.01  -0.01
    30   1     0.01  -0.06   0.03    -0.02   0.19  -0.08    -0.01   0.07  -0.03
    31   1     0.01   0.05   0.00    -0.03  -0.11  -0.01     0.01  -0.01   0.02
    32   1     0.03  -0.03  -0.01    -0.05   0.09   0.03     0.01   0.02  -0.00
    33   1     0.00  -0.00  -0.03    -0.01   0.02   0.06    -0.00  -0.04   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1248.7581              1280.3344              1309.5302
 Red. masses --      1.6085                 1.7853                 1.6109
 Frc consts  --      1.4779                 1.7242                 1.6276
 IR Inten    --      1.1141                 3.0147                 4.5494
 RamAct Fr= 1--      5.2641                 4.3663                 3.4350
  Dep-P Fr= 1--      0.5531                 0.6054                 0.6743
  Dep-U Fr= 1--      0.7122                 0.7542                 0.8055
 Alpha2 Fr= 1--      0.0198                 0.0117                 0.0046
 Beta2  Fr= 1--      0.6249                 0.5488                 0.4611
 AlphaG Fr= 1--      0.0109                 0.0193                 0.0049
 Gamma2 Fr= 1--      2.6069                 2.0752                -4.1945
 Delta2 Fr= 1--     -0.1442                 1.1970                -0.7591
 Raman1 Fr= 1--      21.056                 17.465                 13.740
 ROA1   Fr= 1--     245.648                237.523               -426.959
 CID1   Fr= 1--      11.666                 13.600                -31.074
 Raman2 Fr= 1--       7.498                  6.586                  5.533
 ROA2   Fr= 1--      63.720                 40.229                -94.594
 CID2   Fr= 1--       8.498                  6.108                -17.095
 Raman3 Fr= 1--      14.997                 13.172                 11.067
 ROA3   Fr= 1--     245.648                237.523               -426.959
 CID3   Fr= 1--      16.380                 18.032                -38.579
 RC180  Fr= 1--       0.424                  0.508                  0.611
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.03    -0.04  -0.00  -0.02    -0.03   0.00  -0.03
     2   6    -0.05   0.01  -0.09     0.01  -0.01   0.02     0.00  -0.02   0.03
     3   6    -0.01  -0.02   0.03     0.03   0.03  -0.03     0.03   0.02  -0.02
     4   6    -0.04   0.01  -0.04     0.07  -0.05   0.11     0.01  -0.04   0.09
     5   6     0.03   0.01   0.01    -0.00   0.02  -0.03    -0.02   0.01  -0.03
     6   6    -0.03  -0.02   0.03     0.01   0.02  -0.03     0.03   0.02  -0.02
     7   6     0.01  -0.01   0.06    -0.00   0.00  -0.00    -0.01   0.00  -0.00
     8   6     0.02   0.03  -0.14     0.00   0.00  -0.02    -0.00  -0.00  -0.00
     9   6    -0.01  -0.01   0.04    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.01  -0.00   0.09    -0.00   0.00   0.01     0.00   0.00   0.01
    11   6     0.02  -0.00   0.01    -0.16   0.01  -0.01    -0.05  -0.06  -0.06
    12   6    -0.00  -0.00  -0.00     0.02   0.06   0.04     0.05  -0.11  -0.03
    13   8     0.00   0.00   0.00    -0.02  -0.04   0.03     0.01   0.05  -0.03
    14   8     0.00   0.00   0.00     0.02   0.01  -0.04    -0.03   0.00   0.05
    15   1     0.19  -0.04   0.16     0.04  -0.02   0.05     0.08  -0.01   0.06
    16   1     0.11   0.04  -0.00     0.10   0.05  -0.05     0.09   0.06  -0.04
    17   1     0.05   0.00   0.03    -0.22   0.04  -0.21    -0.12   0.02  -0.11
    18   1     0.01  -0.02   0.02    -0.20  -0.08   0.02    -0.12  -0.05   0.02
    19   1     0.53  -0.16  -0.17     0.11  -0.03  -0.02     0.11  -0.03  -0.02
    20   1    -0.37   0.21   0.15    -0.14   0.02   0.02    -0.04  -0.01   0.00
    21   1     0.05   0.27  -0.11     0.00   0.07  -0.01     0.06   0.06  -0.01
    22   1    -0.03  -0.04  -0.12    -0.00  -0.00  -0.02     0.01   0.00   0.00
    23   1     0.13   0.04   0.01     0.01   0.00   0.00    -0.01  -0.00  -0.00
    24   1    -0.08   0.04  -0.10    -0.01   0.01  -0.01     0.01   0.00   0.00
    25   1    -0.04   0.16  -0.13    -0.01   0.02  -0.02    -0.01   0.01  -0.01
    26   1     0.01  -0.32   0.01    -0.00  -0.04   0.00    -0.01  -0.02   0.00
    27   1     0.05  -0.03  -0.17     0.01  -0.00  -0.02     0.00   0.00  -0.01
    28   1     0.02   0.02   0.02     0.62  -0.01  -0.22     0.06   0.54   0.29
    29   6    -0.01  -0.00  -0.00     0.06  -0.00   0.01     0.02  -0.01   0.06
    30   1     0.00   0.00   0.00     0.03  -0.45   0.15    -0.07   0.59  -0.21
    31   1     0.02   0.01   0.01    -0.11  -0.09  -0.09    -0.06   0.14  -0.07
    32   1     0.02   0.01   0.00    -0.14  -0.07   0.01    -0.04  -0.15  -0.02
    33   1    -0.00  -0.02  -0.00     0.01   0.14   0.05     0.03   0.15  -0.08
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1318.7577              1349.4221              1363.5528
 Red. masses --      1.3452                 2.1929                 1.5531
 Frc consts  --      1.3784                 2.3527                 1.7014
 IR Inten    --      1.2367                 1.0689                 1.1628
 RamAct Fr= 1--     20.5202                 3.6016                 7.7039
  Dep-P Fr= 1--      0.2781                 0.5739                 0.5914
  Dep-U Fr= 1--      0.4352                 0.7293                 0.7433
 Alpha2 Fr= 1--      0.2245                 0.0119                 0.0227
 Beta2  Fr= 1--      1.4883                 0.4378                 0.9543
 AlphaG Fr= 1--      0.0621                -0.0470                -0.0294
 Gamma2 Fr= 1--      2.6298                -6.8301                 6.0174
 Delta2 Fr= 1--     -0.2820                -2.6712                 2.6455
 Raman1 Fr= 1--      82.081                 14.407                 30.816
 ROA1   Fr= 1--     243.436               -741.165                662.327
 CID1   Fr= 1--       2.966                -51.446                 21.493
 Raman2 Fr= 1--      17.860                  5.253                 11.452
 ROA2   Fr= 1--      65.371               -142.552                123.253
 CID2   Fr= 1--       3.660                -27.136                 10.763
 Raman3 Fr= 1--      35.720                 10.507                 22.904
 ROA3   Fr= 1--     243.436               -741.165                662.327
 CID3   Fr= 1--       6.815                -70.542                 28.918
 RC180  Fr= 1--      -0.130                  0.459                  0.487
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.06   0.01  -0.06     0.08  -0.01   0.06
     2   6     0.05  -0.03   0.02    -0.03  -0.10   0.16     0.01  -0.00   0.00
     3   6    -0.00   0.01  -0.01     0.12   0.06  -0.03    -0.03  -0.01  -0.01
     4   6    -0.00  -0.00   0.00    -0.02  -0.04   0.06     0.03   0.06  -0.09
     5   6    -0.02  -0.01   0.00    -0.10   0.01  -0.08     0.03  -0.00   0.02
     6   6     0.02   0.01  -0.00     0.07   0.04  -0.02    -0.09  -0.03   0.01
     7   6    -0.12   0.02   0.03     0.00   0.04  -0.04    -0.04   0.03  -0.02
     8   6    -0.06   0.01   0.04     0.05  -0.06  -0.03     0.05  -0.05  -0.01
     9   6     0.01  -0.01  -0.07    -0.01   0.01   0.02    -0.01   0.01   0.01
    10   6     0.01   0.00   0.01    -0.01   0.01   0.03    -0.01   0.01   0.01
    11   6     0.01   0.01   0.01     0.03   0.03   0.01    -0.06  -0.06  -0.02
    12   6    -0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.07   0.00  -0.07    -0.14   0.01  -0.12    -0.32   0.03  -0.25
    16   1    -0.10  -0.04   0.01    -0.32  -0.16   0.08    -0.24  -0.10   0.04
    17   1    -0.00  -0.01   0.02     0.32  -0.03   0.25     0.15  -0.01   0.11
    18   1     0.00  -0.02  -0.01     0.21   0.10  -0.06     0.32   0.15  -0.10
    19   1     0.50  -0.16  -0.19     0.18   0.01   0.05     0.05   0.00  -0.02
    20   1     0.33  -0.16  -0.08    -0.24  -0.06  -0.01     0.17  -0.13  -0.08
    21   1     0.60   0.18  -0.06    -0.30   0.41   0.11    -0.24   0.27   0.10
    22   1     0.04   0.03   0.12     0.03  -0.01  -0.07     0.02  -0.01  -0.03
    23   1    -0.14   0.00  -0.02     0.04  -0.05  -0.00     0.04  -0.04  -0.01
    24   1     0.16   0.02   0.09    -0.07  -0.02  -0.02    -0.02  -0.02   0.01
    25   1    -0.04  -0.03  -0.01     0.00   0.08  -0.04     0.01   0.03   0.01
    26   1    -0.05  -0.08   0.01     0.05  -0.07   0.00     0.06  -0.04  -0.01
    27   1     0.01   0.01   0.01     0.02   0.00  -0.09     0.01  -0.02  -0.05
    28   1    -0.05  -0.07  -0.03    -0.22  -0.19  -0.06     0.43   0.35   0.11
    29   6    -0.00   0.00  -0.01    -0.01  -0.01  -0.01     0.02  -0.00   0.03
    30   1     0.01  -0.04   0.02     0.00  -0.01   0.01    -0.00  -0.02   0.00
    31   1     0.01  -0.01   0.01     0.02  -0.01   0.02    -0.05   0.06  -0.06
    32   1     0.01   0.02   0.00     0.04   0.05   0.01    -0.05  -0.05   0.01
    33   1    -0.00  -0.02   0.01    -0.01  -0.01  -0.00     0.02   0.08  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.1878              1374.6008              1392.5982
 Red. masses --      1.4803                 1.3010                 1.9967
 Frc consts  --      1.6422                 1.4483                 2.2814
 IR Inten    --      0.7810                 3.4318                45.6123
 RamAct Fr= 1--      6.2298                13.7889                 5.3895
  Dep-P Fr= 1--      0.2361                 0.4864                 0.7462
  Dep-U Fr= 1--      0.3820                 0.6545                 0.8547
 Alpha2 Fr= 1--      0.0767                 0.0725                 0.0003
 Beta2  Fr= 1--      0.3966                 1.5040                 0.7677
 AlphaG Fr= 1--     -0.1714                -0.0990                 0.0068
 Gamma2 Fr= 1--     -3.0298                -0.5384                 1.6776
 Delta2 Fr= 1--     -0.0653                 1.6876                -1.6190
 Raman1 Fr= 1--      24.919                 55.156                 21.558
 ROA1   Fr= 1--    -292.954                  2.311                109.240
 CID1   Fr= 1--     -11.756                  0.042                  5.067
 Raman2 Fr= 1--       4.759                 18.048                  9.213
 ROA2   Fr= 1--     -72.193                -26.423                 53.213
 CID2   Fr= 1--     -15.169                 -1.464                  5.776
 Raman3 Fr= 1--       9.519                 36.097                 18.425
 ROA3   Fr= 1--    -292.954                  2.311                109.240
 CID3   Fr= 1--     -30.777                  0.064                  5.929
 RC180  Fr= 1--      -0.236                  0.309                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.00    -0.00   0.01  -0.01    -0.03  -0.00  -0.02
     2   6    -0.03   0.01   0.00     0.01   0.03  -0.04    -0.00   0.00   0.00
     3   6     0.00  -0.00   0.01    -0.04  -0.02   0.01     0.02   0.00   0.00
     4   6     0.00   0.01  -0.02    -0.01  -0.02   0.02    -0.01   0.00   0.02
     5   6     0.01   0.00  -0.00     0.03  -0.00   0.02    -0.01  -0.01   0.00
     6   6    -0.02  -0.01   0.00     0.01   0.01  -0.01     0.03   0.01  -0.01
     7   6     0.11  -0.01  -0.01    -0.04   0.03  -0.01    -0.00   0.00   0.00
     8   6    -0.12  -0.10  -0.00     0.04  -0.11  -0.01     0.00  -0.00  -0.00
     9   6     0.01   0.03  -0.04    -0.02   0.02   0.00    -0.00   0.00   0.00
    10   6     0.04  -0.01   0.03    -0.01   0.01   0.03    -0.00  -0.00   0.00
    11   6    -0.01  -0.01  -0.00     0.02   0.02   0.01     0.08  -0.11  -0.10
    12   6    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.11   0.18   0.05
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.03   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.03  -0.03  -0.03
    15   1    -0.04   0.02  -0.02     0.18  -0.02   0.12     0.08  -0.02   0.07
    16   1    -0.03  -0.01   0.01     0.22   0.11  -0.06     0.01   0.02   0.02
    17   1     0.06  -0.00   0.04    -0.21   0.02  -0.16    -0.03   0.00  -0.00
    18   1     0.07   0.04  -0.01    -0.19  -0.09   0.04    -0.11  -0.06   0.03
    19   1    -0.40   0.14   0.16    -0.16   0.05  -0.01    -0.01   0.00  -0.00
    20   1    -0.29   0.13   0.08     0.36  -0.21  -0.12     0.03  -0.01  -0.01
    21   1     0.55   0.42  -0.05    -0.25   0.58   0.17    -0.02   0.02   0.01
    22   1     0.11   0.04   0.08     0.07  -0.00  -0.02     0.01  -0.00  -0.00
    23   1    -0.03  -0.06  -0.04     0.07  -0.10  -0.03     0.01  -0.00  -0.00
    24   1     0.07  -0.05   0.10    -0.00  -0.04   0.07     0.00   0.00   0.01
    25   1    -0.04   0.11  -0.15     0.02   0.10  -0.03     0.01   0.02  -0.01
    26   1    -0.09   0.06   0.06     0.06  -0.04   0.01     0.01   0.01   0.00
    27   1    -0.01   0.20  -0.07     0.01   0.05  -0.09    -0.00   0.01  -0.01
    28   1     0.06   0.06   0.02    -0.14  -0.13  -0.05    -0.36   0.54   0.40
    29   6     0.00  -0.00   0.00    -0.01   0.00  -0.01    -0.01   0.03   0.06
    30   1     0.00  -0.01   0.00    -0.00   0.02  -0.01     0.04  -0.42   0.14
    31   1    -0.01   0.01  -0.01     0.01  -0.04   0.02    -0.07   0.00   0.00
    32   1    -0.01  -0.00   0.00     0.01   0.00  -0.01     0.11  -0.17  -0.09
    33   1     0.00   0.01  -0.01    -0.01  -0.04   0.02     0.07  -0.02  -0.18
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.4847              1415.9926              1423.2318
 Red. masses --      1.2586                 1.2214                 1.2349
 Frc consts  --      1.4607                 1.4429                 1.4737
 IR Inten    --      5.1203                11.0293                 6.5144
 RamAct Fr= 1--      0.1390                 1.0082                 1.6293
  Dep-P Fr= 1--      0.4681                 0.5668                 0.3857
  Dep-U Fr= 1--      0.6377                 0.7235                 0.5567
 Alpha2 Fr= 1--      0.0008                 0.0035                 0.0127
 Beta2  Fr= 1--      0.0148                 0.1216                 0.1512
 AlphaG Fr= 1--     -0.0022                 0.0066                -0.0050
 Gamma2 Fr= 1--      0.0799                -0.0658                 0.0255
 Delta2 Fr= 1--     -0.0227                 0.0748                 0.1464
 Raman1 Fr= 1--       0.556                  4.033                  6.517
 ROA1   Fr= 1--       6.942                 -3.925                  7.137
 CID1   Fr= 1--      12.485                 -0.973                  1.095
 Raman2 Fr= 1--       0.177                  1.459                  1.814
 ROA2   Fr= 1--       2.098                 -2.178                 -0.558
 CID2   Fr= 1--      11.837                 -1.492                 -0.308
 Raman3 Fr= 1--       0.355                  2.918                  3.628
 ROA3   Fr= 1--       6.942                 -3.925                  7.137
 CID3   Fr= 1--      19.578                 -1.345                  1.967
 RC180  Fr= 1--       0.275                  0.447                  0.113
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.00   0.00     0.00   0.01  -0.01     0.01  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.01     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.02   0.00   0.00
     8   6     0.02   0.03  -0.00     0.00  -0.00   0.00     0.00   0.01  -0.00
     9   6    -0.10  -0.04  -0.01    -0.00   0.00  -0.00     0.09   0.02   0.02
    10   6    -0.02  -0.09   0.01     0.00   0.00  -0.00    -0.01  -0.10   0.02
    11   6    -0.00   0.00   0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.01   0.03  -0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00  -0.00    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00  -0.00
    15   1    -0.01  -0.00  -0.00     0.02  -0.01   0.02    -0.00  -0.00  -0.00
    16   1    -0.01  -0.01   0.00    -0.01  -0.01   0.01     0.00   0.00  -0.00
    17   1     0.01  -0.00   0.01    -0.03  -0.01  -0.02    -0.01   0.00  -0.01
    18   1     0.01   0.00  -0.00    -0.04  -0.02   0.01     0.00  -0.00  -0.00
    19   1     0.07  -0.03  -0.01    -0.02   0.00  -0.01     0.10  -0.02   0.01
    20   1     0.01   0.02   0.00     0.02  -0.01  -0.00     0.07   0.02  -0.01
    21   1    -0.05  -0.09  -0.01    -0.00   0.01   0.00    -0.02  -0.02  -0.01
    22   1     0.39  -0.07   0.12     0.00  -0.00   0.00    -0.36   0.05  -0.11
    23   1     0.39   0.18  -0.09     0.01  -0.00  -0.00    -0.37  -0.10   0.10
    24   1     0.30   0.25   0.15     0.00  -0.00   0.01    -0.27  -0.18  -0.20
    25   1     0.17   0.29  -0.14    -0.00  -0.00   0.00     0.16   0.33  -0.21
    26   1     0.11   0.36   0.07    -0.00  -0.01  -0.00     0.07   0.41   0.10
    27   1    -0.11   0.34  -0.11     0.00  -0.01   0.00    -0.12   0.37  -0.13
    28   1     0.01  -0.01  -0.01    -0.04   0.03   0.02     0.00  -0.00  -0.00
    29   6     0.00  -0.00  -0.00    -0.02  -0.13  -0.02    -0.00  -0.00  -0.00
    30   1    -0.00   0.01  -0.00     0.01  -0.05   0.02     0.00   0.00   0.00
    31   1     0.00   0.00  -0.00     0.22   0.54  -0.11     0.00   0.01  -0.00
    32   1    -0.00   0.00   0.00     0.09   0.47   0.32     0.00   0.01   0.01
    33   1    -0.00   0.00   0.00    -0.14   0.52   0.04    -0.00   0.01   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.1315              1485.4457              1490.0566
 Red. masses --      2.4817                 1.0759                 1.0464
 Frc consts  --      3.1173                 1.3987                 1.3689
 IR Inten    --      8.7795                 0.4975                 1.5185
 RamAct Fr= 1--      0.5774                 1.6354                10.7546
  Dep-P Fr= 1--      0.7358                 0.6111                 0.7140
  Dep-U Fr= 1--      0.8478                 0.7586                 0.8331
 Alpha2 Fr= 1--      0.0001                 0.0042                 0.0067
 Beta2  Fr= 1--      0.0816                 0.2068                 1.4933
 AlphaG Fr= 1--     -0.0082                -0.0339                 0.0095
 Gamma2 Fr= 1--      2.4309                -1.0127                -2.2323
 Delta2 Fr= 1--     -1.1271                 0.4237                 0.7149
 Raman1 Fr= 1--       2.310                  6.542                 43.018
 ROA1   Fr= 1--     197.300                -83.656               -191.428
 CID1   Fr= 1--      85.422                -12.788                 -4.450
 Raman2 Fr= 1--       0.979                  2.481                 17.920
 ROA2   Fr= 1--      67.359                -27.693                -59.295
 CID2   Fr= 1--      68.800                -11.161                 -3.309
 Raman3 Fr= 1--       1.958                  4.962                 35.840
 ROA3   Fr= 1--     197.300                -83.656               -191.428
 CID3   Fr= 1--     100.760                -16.858                 -5.341
 RC180  Fr= 1--       0.696                  0.517                  0.666
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.04  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.01  -0.08   0.13     0.01  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.13  -0.01  -0.06     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.02  -0.08   0.13     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.14   0.04   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.13  -0.01  -0.06     0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.01   0.01  -0.04    -0.04  -0.04  -0.03    -0.01  -0.01  -0.01
     8   6    -0.00   0.01  -0.00     0.01   0.01   0.00     0.01   0.00  -0.00
     9   6    -0.00  -0.01   0.00    -0.02   0.03   0.01     0.01  -0.00  -0.04
    10   6    -0.00   0.00   0.00     0.03  -0.00  -0.00    -0.00   0.01   0.03
    11   6     0.04   0.02  -0.03    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.01   0.02   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1    -0.20   0.09  -0.28    -0.00  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.31   0.21  -0.18    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1    -0.24   0.09  -0.31     0.00  -0.00   0.01     0.00  -0.00   0.01
    18   1     0.28   0.19  -0.18    -0.02  -0.01   0.01    -0.01  -0.00   0.01
    19   1     0.18  -0.00   0.10     0.16   0.02   0.42     0.06   0.01   0.18
    20   1    -0.22   0.09   0.02     0.18   0.42   0.01     0.07   0.18   0.01
    21   1     0.02  -0.02  -0.01    -0.03  -0.00   0.01    -0.05  -0.03   0.00
    22   1     0.04  -0.01  -0.00    -0.07  -0.05  -0.30    -0.19   0.13   0.44
    23   1    -0.02   0.04   0.01     0.09  -0.38  -0.07     0.21   0.22  -0.04
    24   1     0.00   0.04  -0.04     0.16   0.04   0.19    -0.12  -0.35   0.18
    25   1    -0.03  -0.02  -0.01    -0.10   0.10  -0.24    -0.30  -0.15  -0.17
    26   1     0.01   0.01   0.00    -0.35   0.08   0.08     0.14   0.21   0.03
    27   1     0.02  -0.02  -0.04     0.02  -0.16   0.18     0.15  -0.18  -0.38
    28   1    -0.35  -0.09   0.00     0.01   0.00   0.00     0.00  -0.00  -0.00
    29   6    -0.01  -0.01  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.01  -0.04   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.03   0.01   0.02     0.00   0.00  -0.00    -0.02   0.01  -0.02
    32   1     0.08   0.03   0.01    -0.01  -0.00   0.00    -0.02   0.01   0.01
    33   1    -0.01   0.06  -0.04    -0.00  -0.00   0.01     0.01  -0.02  -0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.2168              1497.6543              1498.9530
 Red. masses --      1.0465                 1.0756                 1.0553
 Frc consts  --      1.3730                 1.4214                 1.3970
 IR Inten    --      5.0106                 3.7138                 8.1044
 RamAct Fr= 1--      4.3959                 2.4674                 5.1801
  Dep-P Fr= 1--      0.5956                 0.7200                 0.6449
  Dep-U Fr= 1--      0.7466                 0.8372                 0.7841
 Alpha2 Fr= 1--      0.0126                 0.0013                 0.0098
 Beta2  Fr= 1--      0.5470                 0.3443                 0.6769
 AlphaG Fr= 1--     -0.0009                -0.0072                 0.0700
 Gamma2 Fr= 1--     -0.3374                -1.1200                 1.7632
 Delta2 Fr= 1--     -1.2053                 0.3484                 1.5790
 Raman1 Fr= 1--      17.584                  9.870                 20.720
 ROA1   Fr= 1--     -70.958                -96.368                219.799
 CID1   Fr= 1--      -4.035                 -9.764                 10.608
 Raman2 Fr= 1--       6.564                  4.132                  8.123
 ROA2   Fr= 1--       1.546                -29.667                 29.686
 CID2   Fr= 1--       0.236                 -7.180                  3.654
 Raman3 Fr= 1--      13.127                  8.263                 16.247
 ROA3   Fr= 1--     -70.958                -96.368                219.799
 CID3   Fr= 1--      -5.405                -11.662                 13.529
 RC180  Fr= 1--       0.493                  0.674                  0.568
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.01  -0.00  -0.00     0.01  -0.00  -0.01    -0.00  -0.00   0.01
     3   6     0.01   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.01  -0.01    -0.01  -0.00   0.00
     5   6     0.01  -0.00   0.01    -0.01  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.01   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00   0.00    -0.03  -0.03  -0.04     0.00   0.01   0.00
     8   6     0.00   0.00  -0.00    -0.02  -0.02   0.00     0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00     0.01  -0.02   0.01    -0.00   0.00  -0.00
    10   6     0.00   0.00   0.00    -0.03   0.01  -0.00     0.00  -0.00   0.00
    11   6    -0.02   0.00  -0.01     0.00  -0.00  -0.00     0.02  -0.01  -0.03
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    13   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.02  -0.00  -0.01     0.01  -0.00   0.01     0.00   0.00  -0.00
    16   1    -0.03  -0.02   0.01    -0.00  -0.00   0.00     0.01   0.01  -0.00
    17   1    -0.01  -0.00  -0.01     0.01  -0.00   0.01     0.00   0.01   0.01
    18   1    -0.02  -0.01   0.00    -0.03  -0.01   0.01     0.01   0.00  -0.01
    19   1     0.00   0.00  -0.00     0.10   0.04   0.45    -0.01  -0.01  -0.06
    20   1     0.00   0.00   0.00     0.18   0.42   0.01    -0.03  -0.06  -0.00
    21   1    -0.00  -0.00  -0.00     0.03   0.07   0.01    -0.00  -0.01  -0.00
    22   1    -0.01   0.01   0.02     0.20  -0.04  -0.01    -0.01   0.00   0.01
    23   1     0.01   0.01  -0.00    -0.20   0.19   0.08     0.02  -0.01  -0.01
    24   1    -0.00  -0.02   0.01    -0.05   0.19  -0.26     0.00  -0.02   0.02
    25   1    -0.02  -0.00  -0.01     0.12  -0.12   0.29    -0.02   0.02  -0.04
    26   1    -0.00   0.01   0.00     0.35  -0.15  -0.10    -0.05   0.02   0.02
    27   1     0.01  -0.01  -0.01    -0.03   0.16  -0.16     0.01  -0.03   0.02
    28   1     0.04   0.06   0.00     0.01   0.01   0.00    -0.06   0.07   0.04
    29   6    -0.04   0.00  -0.03     0.00   0.00  -0.01     0.03   0.01  -0.04
    30   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.02   0.01
    31   1     0.48  -0.17   0.48     0.04   0.04   0.01     0.22   0.32   0.00
    32   1     0.33  -0.28  -0.27    -0.07  -0.03  -0.01    -0.60  -0.18   0.00
    33   1    -0.17   0.35   0.28    -0.02  -0.02   0.08    -0.12  -0.24   0.60
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.3647              1511.1715              1551.6598
 Red. masses --      1.0528                 1.0511                 2.4478
 Frc consts  --      1.4038                 1.4142                 3.4724
 IR Inten    --      4.8214                12.3630                25.9715
 RamAct Fr= 1--      7.3954                 0.9731                 0.6437
  Dep-P Fr= 1--      0.7299                 0.4762                 0.6216
  Dep-U Fr= 1--      0.8439                 0.6451                 0.7666
 Alpha2 Fr= 1--      0.0025                 0.0053                 0.0015
 Beta2  Fr= 1--      1.0401                 0.1046                 0.0823
 AlphaG Fr= 1--     -0.0082                 0.0041                -0.0036
 Gamma2 Fr= 1--      0.9142                 1.4816                -0.6129
 Delta2 Fr= 1--     -0.0386                 0.3529                -0.0577
 Raman1 Fr= 1--      29.582                  3.892                  2.575
 ROA1   Fr= 1--      86.533                153.527                -60.684
 CID1   Fr= 1--       2.925                 39.443                -23.567
 Raman2 Fr= 1--      12.482                  1.256                  0.987
 ROA2   Fr= 1--      22.251                 32.735                -14.247
 CID2   Fr= 1--       1.783                 26.073                -14.434
 Raman3 Fr= 1--      24.963                  2.511                  1.974
 ROA3   Fr= 1--      86.533                153.527                -60.684
 CID3   Fr= 1--       3.466                 61.139                -30.740
 RC180  Fr= 1--       0.688                  0.290                  0.533
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.08   0.04  -0.11
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.15   0.03   0.04
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.10  -0.07   0.07
     4   6    -0.00  -0.00   0.01     0.00  -0.00   0.00     0.15   0.03   0.03
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.09   0.03  -0.11
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.10  -0.07   0.07
     7   6     0.00  -0.01  -0.00    -0.01  -0.01  -0.01    -0.03  -0.01  -0.01
     8   6    -0.03   0.03  -0.01     0.02  -0.02  -0.03    -0.00   0.00   0.00
     9   6     0.00   0.03  -0.01     0.01  -0.01  -0.02     0.00  -0.00  -0.00
    10   6    -0.03  -0.01  -0.01     0.01  -0.01  -0.03     0.00   0.00   0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.03  -0.01  -0.01
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    13   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.01   0.00  -0.01     0.00  -0.00   0.00     0.39  -0.01   0.24
    16   1     0.00   0.00  -0.00     0.01   0.00  -0.00     0.41   0.17  -0.05
    17   1     0.00   0.00  -0.00     0.01   0.00   0.00     0.41  -0.01   0.27
    18   1     0.01   0.01  -0.00     0.01   0.00  -0.01     0.41   0.16  -0.05
    19   1     0.03  -0.01   0.01     0.05   0.01   0.12    -0.04  -0.01  -0.03
    20   1    -0.04   0.04   0.01     0.03   0.12   0.01    -0.03  -0.03  -0.01
    21   1     0.02  -0.03  -0.03    -0.06   0.07  -0.01     0.01  -0.00   0.00
    22   1    -0.31   0.06  -0.06    -0.06   0.10   0.41    -0.00  -0.00  -0.01
    23   1     0.28  -0.35  -0.12     0.09   0.33   0.01    -0.00  -0.01  -0.00
    24   1     0.11  -0.26   0.40    -0.17  -0.22  -0.00     0.01   0.01   0.00
    25   1     0.26  -0.05   0.35     0.28   0.23   0.06    -0.02  -0.01  -0.01
    26   1     0.32  -0.20  -0.11    -0.32  -0.21  -0.00     0.00   0.01   0.00
    27   1    -0.10   0.28  -0.02    -0.14   0.10   0.50     0.01  -0.01  -0.01
    28   1    -0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.03   0.00   0.00
    29   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
    31   1     0.01   0.01   0.00     0.00  -0.00   0.00     0.05  -0.01   0.04
    32   1    -0.02  -0.00   0.00     0.00   0.00  -0.00     0.04  -0.02  -0.02
    33   1    -0.00  -0.01   0.02    -0.00   0.00  -0.00    -0.02   0.06   0.02
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.0913              1658.1602              1805.8331
 Red. masses --      6.0212                 5.7997                 9.5442
 Frc consts  --      9.2884                 9.3952                18.3378
 IR Inten    --      0.0360                 1.3109               271.9561
 RamAct Fr= 1--      1.9488               133.7987                16.2777
  Dep-P Fr= 1--      0.6531                 0.4844                 0.1937
  Dep-U Fr= 1--      0.7902                 0.6527                 0.3245
 Alpha2 Fr= 1--      0.0034                 0.7092                 0.2248
 Beta2  Fr= 1--      0.2566                14.5550                 0.8805
 AlphaG Fr= 1--      0.0307                -0.3033                -0.4157
 Gamma2 Fr= 1--      0.2636                -1.3104                -1.2295
 Delta2 Fr= 1--     -0.0061                 0.5881                 1.1112
 Raman1 Fr= 1--       7.795                535.195                 65.111
 ROA1   Fr= 1--      25.110               -106.982                -82.474
 CID1   Fr= 1--       3.221                 -0.200                 -1.267
 Raman2 Fr= 1--       3.080                174.660                 10.565
 ROA2   Fr= 1--       6.376                -36.155                -38.398
 CID2   Fr= 1--       2.070                 -0.207                 -3.634
 Raman3 Fr= 1--       6.159                349.321                 21.131
 ROA3   Fr= 1--      25.110               -106.982                -82.474
 CID3   Fr= 1--       4.077                 -0.306                 -3.903
 RC180  Fr= 1--       0.580                  0.305                 -0.351
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.09   0.20     0.27   0.01   0.13     0.01   0.00   0.00
     2   6     0.03   0.18  -0.29    -0.20  -0.04  -0.04    -0.00  -0.00   0.00
     3   6     0.11   0.13  -0.16    -0.28  -0.09   0.00    -0.01  -0.00   0.00
     4   6    -0.03  -0.18   0.30     0.18   0.04   0.04     0.02   0.01   0.00
     5   6    -0.08   0.09  -0.20    -0.26  -0.02  -0.13    -0.01  -0.00  -0.00
     6   6    -0.11  -0.12   0.16     0.29   0.10  -0.00     0.01   0.00  -0.00
     7   6    -0.01  -0.02   0.03     0.03   0.01   0.01     0.00   0.00   0.00
     8   6    -0.00  -0.01   0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
     9   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6     0.02   0.02  -0.03    -0.02  -0.01  -0.01     0.02   0.01  -0.05
    12   6    -0.00   0.01   0.01     0.00   0.02  -0.01    -0.27  -0.32   0.57
    13   8     0.00   0.00  -0.00    -0.00  -0.01   0.01     0.15   0.23  -0.35
    14   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.02   0.03  -0.05
    15   1    -0.29  -0.05  -0.08    -0.25   0.08  -0.27    -0.00   0.00  -0.01
    16   1    -0.28  -0.06  -0.07     0.28   0.17  -0.14     0.02   0.01  -0.01
    17   1     0.31   0.06   0.09     0.25  -0.07   0.29    -0.03   0.01  -0.00
    18   1     0.29   0.06   0.06    -0.29  -0.17   0.15    -0.01  -0.01   0.00
    19   1    -0.16   0.01  -0.01     0.03   0.00  -0.01     0.00   0.00  -0.00
    20   1     0.24   0.03  -0.01     0.01  -0.01   0.01    -0.00  -0.00   0.00
    21   1     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00   0.00  -0.00
    22   1     0.02  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    23   1    -0.02   0.01   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    24   1    -0.01   0.01  -0.02    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    25   1    -0.01  -0.00  -0.01     0.01   0.01  -0.00    -0.00   0.00  -0.00
    26   1     0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    27   1     0.00  -0.01  -0.01    -0.00   0.00   0.01     0.00  -0.00   0.00
    28   1    -0.27  -0.07  -0.01    -0.02   0.00   0.01     0.17  -0.09  -0.13
    29   6     0.00  -0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.01   0.00
    30   1     0.00  -0.01   0.01     0.00   0.00  -0.00     0.03  -0.44   0.16
    31   1     0.02   0.01   0.01     0.02   0.01   0.01     0.03   0.11  -0.02
    32   1    -0.01  -0.02  -0.01     0.02   0.00   0.00    -0.04   0.02   0.04
    33   1    -0.01   0.00   0.02    -0.01   0.03   0.00    -0.03   0.01   0.03
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3002.8381              3018.7397              3020.5420
 Red. masses --      1.0813                 1.0504                 1.0403
 Frc consts  --      5.7446                 5.6395                 5.5920
 IR Inten    --      3.9828                 8.8475                41.8534
 RamAct Fr= 1--    133.0562                13.8211                26.7976
  Dep-P Fr= 1--      0.1963                 0.6526                 0.2928
  Dep-U Fr= 1--      0.3282                 0.7898                 0.4529
 Alpha2 Fr= 1--      1.8245                 0.0241                 0.2808
 Beta2  Fr= 1--      7.2792                 1.8193                 2.0229
 AlphaG Fr= 1--     -0.9853                -0.0645                 0.1430
 Gamma2 Fr= 1--     -9.7404                 3.6656                -1.2594
 Delta2 Fr= 1--     -5.8059                 2.2167                 3.6032
 Raman1 Fr= 1--     532.225                 55.284                107.190
 ROA1   Fr= 1--   -1120.865                422.829                 -5.602
 CID1   Fr= 1--      -2.106                  7.648                 -0.052
 Raman2 Fr= 1--      87.350                 21.832                 24.274
 ROA2   Fr= 1--    -187.322                 70.240                -59.052
 CID2   Fr= 1--      -2.144                  3.217                 -2.433
 Raman3 Fr= 1--     174.700                 43.664                 48.549
 ROA3   Fr= 1--   -1120.865                422.829                 -5.602
 CID3   Fr= 1--      -6.416                  9.684                 -0.115
 RC180  Fr= 1--      -0.344                  0.580                 -0.094
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.02    -0.02  -0.04  -0.03     0.01   0.02   0.02
     8   6    -0.01   0.01  -0.08    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.01     0.03   0.01   0.01     0.03   0.01   0.01
    10   6     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.03  -0.02
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    19   1     0.00  -0.01   0.01     0.12   0.54  -0.12    -0.06  -0.25   0.06
    20   1    -0.04   0.04  -0.23     0.08  -0.10   0.52    -0.04   0.05  -0.26
    21   1     0.18  -0.15   0.91     0.02  -0.01   0.09     0.00   0.00  -0.00
    22   1     0.00   0.04  -0.01    -0.04  -0.32   0.08    -0.04  -0.29   0.07
    23   1    -0.03   0.02  -0.12    -0.09   0.06  -0.41    -0.08   0.06  -0.39
    24   1     0.02  -0.02  -0.02    -0.18   0.16   0.16    -0.19   0.16   0.17
    25   1     0.01  -0.00  -0.00    -0.01   0.01   0.01     0.23  -0.19  -0.20
    26   1    -0.03   0.03  -0.17    -0.01   0.01  -0.07     0.10  -0.10   0.53
    27   1    -0.00   0.00   0.00     0.02   0.01   0.01    -0.27  -0.07  -0.07
    28   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.9179              3047.2492              3056.6274
 Red. masses --      1.0435                 1.0356                 1.1034
 Frc consts  --      5.6333                 5.6656                 6.0740
 IR Inten    --     47.8978                23.7571                15.4242
 RamAct Fr= 1--    423.8390               217.3974                28.7153
  Dep-P Fr= 1--      0.0092                 0.0644                 0.7261
  Dep-U Fr= 1--      0.0183                 0.1209                 0.8414
 Alpha2 Fr= 1--      9.2176                 4.1494                 0.0118
 Beta2  Fr= 1--      1.2921                 4.3823                 4.0266
 AlphaG Fr= 1--      1.0732                -0.4228                 0.1160
 Gamma2 Fr= 1--      1.4502                -0.3374                 0.1013
 Delta2 Fr= 1--     -0.2937                 3.5760                -1.8417
 Raman1 Fr= 1--    1695.356                869.590                114.861
 ROA1   Fr= 1--     129.818                 82.046                -49.208
 CID1   Fr= 1--       0.077                  0.094                 -0.428
 Raman2 Fr= 1--      15.506                 52.587                 48.319
 ROA2   Fr= 1--      37.154                -36.705                 17.165
 CID2   Fr= 1--       2.396                 -0.698                  0.355
 Raman3 Fr= 1--      31.011                105.175                 96.639
 ROA3   Fr= 1--     129.818                 82.046                -49.208
 CID3   Fr= 1--       4.186                  0.780                 -0.509
 RC180  Fr= 1--      -0.963                 -0.758                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.01  -0.03  -0.02     0.00   0.00  -0.00     0.00   0.06  -0.07
     8   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
     9   6    -0.02  -0.01  -0.01     0.00   0.00   0.00    -0.00  -0.01   0.01
    10   6    -0.00   0.03  -0.02    -0.00  -0.00   0.00    -0.00   0.00   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.01
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.01   0.00  -0.01
    19   1     0.08   0.35  -0.07    -0.00  -0.00   0.00    -0.15  -0.64   0.12
    20   1     0.04  -0.05   0.26    -0.00   0.00  -0.00     0.12  -0.10   0.68
    21   1     0.03  -0.03   0.17    -0.00   0.00  -0.00     0.02  -0.02   0.13
    22   1     0.04   0.30  -0.07    -0.00  -0.00   0.00     0.01   0.12  -0.02
    23   1     0.07  -0.05   0.33    -0.00   0.00  -0.00    -0.02   0.01  -0.10
    24   1     0.18  -0.16  -0.16    -0.00   0.00   0.00     0.02  -0.02  -0.02
    25   1     0.22  -0.19  -0.20     0.00  -0.00  -0.00     0.05  -0.04  -0.04
    26   1     0.09  -0.09   0.48    -0.00   0.00  -0.00    -0.01   0.01  -0.04
    27   1    -0.28  -0.08  -0.07     0.00   0.00   0.00    -0.04  -0.01  -0.01
    28   1     0.00  -0.00   0.00    -0.01   0.02  -0.03     0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.02  -0.04  -0.02     0.00   0.00   0.00
    30   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.36   0.18   0.42     0.00  -0.00  -0.00
    32   1    -0.00   0.00  -0.00    -0.09   0.23  -0.38     0.00  -0.00   0.00
    33   1     0.00   0.00   0.00     0.64   0.10   0.18    -0.00  -0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.7238              3077.9382              3084.3837
 Red. masses --      1.0840                 1.0995                 1.0994
 Frc consts  --      6.0222                 6.1369                 6.1622
 IR Inten    --      6.9378                10.1333                56.3896
 RamAct Fr= 1--     65.9368                22.8057               113.1979
  Dep-P Fr= 1--      0.1957                 0.7339                 0.4536
  Dep-U Fr= 1--      0.3274                 0.8465                 0.6241
 Alpha2 Fr= 1--      0.9056                 0.0063                 0.6840
 Beta2  Fr= 1--      3.5977                 3.2175                11.7743
 AlphaG Fr= 1--     -0.3516                 0.0372                 1.2519
 Gamma2 Fr= 1--     -2.9778                 8.8208                -5.0409
 Delta2 Fr= 1--     -1.8425                -4.0643                15.3917
 Raman1 Fr= 1--     263.747                 91.223                452.792
 ROA1   Fr= 1--    -344.829                716.735                  8.609
 CID1   Fr= 1--      -1.307                  7.857                  0.019
 Raman2 Fr= 1--      43.173                 38.610                141.291
 ROA2   Fr= 1--     -56.727                244.213               -244.116
 CID2   Fr= 1--      -1.314                  6.325                 -1.728
 Raman3 Fr= 1--      86.345                 77.220                282.583
 ROA3   Fr= 1--    -344.829                716.735                  8.609
 CID3   Fr= 1--      -3.994                  9.282                  0.030
 RC180  Fr= 1--      -0.345                  0.693                  0.248
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.01   0.01
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.02
     9   6     0.00  -0.00   0.00     0.01   0.02  -0.07    -0.00  -0.04   0.05
    10   6    -0.00   0.00   0.00    -0.01   0.02   0.06    -0.01   0.02   0.06
    11   6    -0.02   0.04  -0.07     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.00   0.01
    16   1    -0.01   0.01  -0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    19   1    -0.00  -0.00   0.00    -0.01  -0.03   0.00     0.02   0.09  -0.02
    20   1    -0.00   0.00  -0.00     0.00  -0.01   0.03    -0.02   0.01  -0.11
    21   1    -0.00   0.00  -0.00     0.01  -0.00   0.03    -0.04   0.03  -0.19
    22   1     0.00   0.00  -0.00    -0.05  -0.35   0.07     0.07   0.47  -0.10
    23   1    -0.00   0.00  -0.00     0.12  -0.07   0.53    -0.10   0.05  -0.43
    24   1     0.00  -0.00  -0.00    -0.23   0.21   0.19     0.06  -0.05  -0.04
    25   1     0.00  -0.00  -0.00     0.32  -0.27  -0.27     0.34  -0.29  -0.28
    26   1    -0.00   0.00  -0.00    -0.07   0.08  -0.38    -0.08   0.09  -0.42
    27   1     0.00   0.00   0.00    -0.17  -0.04  -0.02    -0.15  -0.04  -0.02
    28   1     0.21  -0.50   0.82    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   6     0.00  -0.01   0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    31   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.03   0.08  -0.14     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   1    -0.04  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3089.9394              3103.6399              3110.8121
 Red. masses --      1.1014                 1.1002                 1.1023
 Frc consts  --      6.1956                 6.2441                 6.2850
 IR Inten    --     42.6232                33.7686                27.5861
 RamAct Fr= 1--    123.0746                53.3072               102.4227
  Dep-P Fr= 1--      0.6565                 0.7015                 0.6763
  Dep-U Fr= 1--      0.7926                 0.8246                 0.8069
 Alpha2 Fr= 1--      0.2059                 0.0450                 0.1335
 Beta2  Fr= 1--     16.2587                 7.3259                13.7736
 AlphaG Fr= 1--      0.2415                 0.1395                 0.0778
 Gamma2 Fr= 1--     -3.7727                 9.9536                -2.8444
 Delta2 Fr= 1--     -8.9085                 0.0072                -4.1649
 Raman1 Fr= 1--     492.298                213.229                409.691
 ROA1   Fr= 1--    -647.252                955.775               -406.342
 CID1   Fr= 1--      -1.315                  4.482                 -0.992
 Raman2 Fr= 1--     195.104                 87.911                165.283
 ROA2   Fr= 1--     -19.276                238.829                -34.946
 CID2   Fr= 1--      -0.099                  2.717                 -0.211
 Raman3 Fr= 1--     390.209                175.822                330.566
 ROA3   Fr= 1--    -647.252                955.775               -406.342
 CID3   Fr= 1--      -1.659                  5.436                 -1.229
 RC180  Fr= 1--       0.585                  0.649                  0.614
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9   6     0.03  -0.08  -0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.00  -0.01  -0.02    -0.09   0.00  -0.01     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    14   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00   0.02  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00   0.01     0.00  -0.00   0.01    -0.00   0.00  -0.00
    21   1     0.01  -0.01   0.05     0.01  -0.01   0.03    -0.00   0.00  -0.00
    22   1     0.08   0.55  -0.14    -0.00  -0.02   0.01    -0.00  -0.00   0.00
    23   1     0.04  -0.04   0.11     0.00   0.00   0.01    -0.00   0.00  -0.00
    24   1    -0.50   0.42   0.43     0.02  -0.02  -0.02    -0.00   0.00   0.00
    25   1    -0.09   0.08   0.08     0.26  -0.24  -0.25    -0.00   0.00   0.00
    26   1     0.02  -0.03   0.13     0.01  -0.03   0.17    -0.00   0.00  -0.00
    27   1     0.09   0.02   0.02     0.82   0.25   0.19    -0.01  -0.00  -0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.03   0.04
    29   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.09   0.02   0.01
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   1    -0.00   0.00   0.00     0.01  -0.00  -0.01     0.41  -0.22  -0.50
    32   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.10   0.16
    33   1     0.00   0.00   0.00     0.01   0.00   0.00     0.66   0.12   0.20
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3130.0229              3157.0497              3164.7600
 Red. masses --      1.1013                 1.0867                 1.0875
 Frc consts  --      6.3569                 6.3813                 6.4175
 IR Inten    --     12.6950                11.6722                11.0028
 RamAct Fr= 1--     26.6047                54.7392                51.3752
  Dep-P Fr= 1--      0.6757                 0.6943                 0.5944
  Dep-U Fr= 1--      0.8065                 0.8195                 0.7456
 Alpha2 Fr= 1--      0.0350                 0.0534                 0.1485
 Beta2  Fr= 1--      3.5759                 7.4769                 6.3845
 AlphaG Fr= 1--     -0.0110                -0.0362                 0.2244
 Gamma2 Fr= 1--      0.3346                -3.2725                 3.6788
 Delta2 Fr= 1--      1.8689                 2.4770                 0.8029
 Raman1 Fr= 1--     106.419                218.957                205.501
 ROA1   Fr= 1--      91.926               -234.895                378.859
 CID1   Fr= 1--       0.864                 -1.073                  1.844
 Raman2 Fr= 1--      42.911                 89.722                 76.614
 ROA2   Fr= 1--      -6.922                -98.356                 81.868
 CID2   Fr= 1--      -0.161                 -1.096                  1.069
 Raman3 Fr= 1--      85.821                179.445                153.229
 ROA3   Fr= 1--      91.926               -234.895                378.859
 CID3   Fr= 1--       1.071                 -1.309                  2.473
 RC180  Fr= 1--       0.613                  0.639                  0.491
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.04   0.04  -0.04     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.02  -0.02   0.04    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.02   0.03
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.03   0.03  -0.07
     7   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.45  -0.44   0.51    -0.04  -0.03   0.04
    16   1    -0.01   0.01  -0.02    -0.22   0.21  -0.50     0.01  -0.01   0.03
    17   1     0.02   0.02  -0.02    -0.02  -0.02   0.02     0.25   0.24  -0.29
    18   1     0.00  -0.00   0.01    -0.01   0.01  -0.02     0.34  -0.31   0.76
    19   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    20   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00   0.02
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
    22   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
    28   1     0.03  -0.08   0.13    -0.01   0.01  -0.02     0.00   0.00  -0.00
    29   6    -0.01   0.02  -0.09     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    31   1    -0.28   0.15   0.31     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    32   1     0.16  -0.45   0.71    -0.00   0.01  -0.01    -0.00   0.01  -0.02
    33   1     0.18   0.04   0.04    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3174.9896              3184.5904              3723.2376
 Red. masses --      1.0936                 1.0934                 1.0639
 Frc consts  --      6.4953                 6.5334                 8.6897
 IR Inten    --     16.3939                 3.7423                65.8122
 RamAct Fr= 1--    119.5362               116.0182               145.9779
  Dep-P Fr= 1--      0.1540                 0.1350                 0.2473
  Dep-U Fr= 1--      0.2669                 0.2379                 0.3965
 Alpha2 Fr= 1--      1.8291                 1.8625                 1.7433
 Beta2  Fr= 1--      5.3180                 4.6011                 9.6470
 AlphaG Fr= 1--     -0.8851                 0.1630                -0.3704
 Gamma2 Fr= 1--     -5.9383                 5.0849                -5.5612
 Delta2 Fr= 1--     -2.1682                 1.3892                 0.2771
 Raman1 Fr= 1--     478.145                464.073                583.912
 ROA1   Fr= 1--    -639.463                532.608               -525.009
 CID1   Fr= 1--      -1.337                  1.148                 -0.899
 Raman2 Fr= 1--      63.817                 55.213                115.764
 ROA2   Fr= 1--    -125.174                110.925               -135.686
 CID2   Fr= 1--      -1.961                  2.009                 -1.172
 Raman3 Fr= 1--     127.633                110.426                231.528
 ROA3   Fr= 1--    -639.463                532.608               -525.009
 CID3   Fr= 1--      -5.010                  4.823                 -2.268
 RC180  Fr= 1--      -0.466                 -0.524                 -0.207
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.03   0.02  -0.06     0.00  -0.00   0.01     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.01   0.01  -0.01     0.04   0.04  -0.05    -0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.02   0.01  -0.03     0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    10   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.03  -0.02  -0.05
    15   1    -0.32  -0.31   0.36     0.04   0.04  -0.05    -0.00  -0.00   0.00
    16   1     0.31  -0.29   0.68    -0.03   0.03  -0.06     0.00  -0.00   0.00
    17   1    -0.07  -0.06   0.08    -0.49  -0.47   0.56     0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.01     0.18  -0.16   0.39    -0.00   0.00  -0.00
    19   1    -0.00  -0.01   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.00
    21   1     0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    28   1     0.01  -0.01   0.02    -0.00   0.00  -0.00    -0.00   0.00   0.00
    29   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.55   0.31   0.78
    31   1    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00  -0.00   0.00
    32   1     0.00  -0.01   0.01     0.00  -0.01   0.02     0.00  -0.00  -0.00
    33   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1144.562897350.353507530.72542
           X            0.99997   0.00313   0.00765
           Y           -0.00333   0.99963   0.02716
           Z           -0.00756  -0.02718   0.99960
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.07567     0.01178     0.01150
 Rotational constants (GHZ):           1.57680     0.24553     0.23965
 Zero-point vibrational energy     745948.1 (Joules/Mol)
                                  178.28587 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     33.97    54.75    64.53    79.94    87.85
          (Kelvin)            146.58   238.82   308.98   322.63   327.97
                              339.30   366.42   428.88   444.68   515.18
                              551.50   589.30   602.58   610.55   687.40
                              734.71   851.41   888.82   923.55   957.49
                             1028.79  1096.74  1148.54  1189.54  1209.73
                             1226.52  1232.23  1257.52  1291.66  1346.66
                             1373.45  1382.05  1398.16  1407.41  1460.07
                             1505.26  1559.64  1578.69  1592.72  1637.82
                             1652.25  1671.15  1717.70  1743.67  1757.97
                             1779.01  1796.68  1842.12  1884.12  1897.40
                             1941.52  1961.85  1974.27  1977.74  2003.64
                             2019.30  2037.30  2047.71  2100.80  2137.23
                             2143.86  2146.97  2154.79  2156.66  2164.45
                             2174.24  2232.49  2328.07  2385.72  2598.19
                             4320.41  4343.29  4345.89  4355.06  4384.31
                             4397.81  4418.09  4428.47  4437.74  4445.73
                             4465.45  4475.76  4503.40  4542.29  4553.38
                             4568.10  4581.92  5356.91
 
 Zero-point correction=                           0.284117 (Hartree/Particle)
 Thermal correction to Energy=                    0.299820
 Thermal correction to Enthalpy=                  0.300764
 Thermal correction to Gibbs Free Energy=         0.239319
 Sum of electronic and zero-point Energies=           -656.740229
 Sum of electronic and thermal Energies=              -656.724525
 Sum of electronic and thermal Enthalpies=            -656.723581
 Sum of electronic and thermal Free Energies=         -656.785027
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.140             58.746            129.323
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.516
 Vibrational            186.363             52.784             54.933
 Vibration     1          0.593              1.985              6.305
 Vibration     2          0.594              1.982              5.358
 Vibration     3          0.595              1.979              5.032
 Vibration     4          0.596              1.975              4.609
 Vibration     5          0.597              1.973              4.423
 Vibration     6          0.604              1.948              3.418
 Vibration     7          0.624              1.884              2.480
 Vibration     8          0.645              1.819              2.003
 Vibration     9          0.649              1.804              1.925
 Vibration    10          0.651              1.798              1.895
 Vibration    11          0.655              1.786              1.834
 Vibration    12          0.665              1.755              1.698
 Vibration    13          0.691              1.677              1.428
 Vibration    14          0.698              1.656              1.367
 Vibration    15          0.733              1.559              1.130
 Vibration    16          0.753              1.506              1.026
 Vibration    17          0.774              1.449              0.928
 Vibration    18          0.782              1.429              0.896
 Vibration    19          0.786              1.417              0.877
 Vibration    20          0.834              1.299              0.716
 Vibration    21          0.866              1.226              0.632
 Vibration    22          0.949              1.049              0.464
 Vibration    23          0.978              0.994              0.420
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.833919-110       -110.078876       -253.465979
 Total V=0       0.403258D+21         20.605583         47.446109
 Vib (Bot)       0.251604-124       -124.599282       -286.900449
 Vib (Bot)    1  0.877267D+01          0.943132          2.171641
 Vib (Bot)    2  0.543778D+01          0.735422          1.693372
 Vib (Bot)    3  0.461103D+01          0.663798          1.528452
 Vib (Bot)    4  0.371858D+01          0.570377          1.313342
 Vib (Bot)    5  0.338156D+01          0.529116          1.218336
 Vib (Bot)    6  0.201367D+01          0.303989          0.699960
 Vib (Bot)    7  0.121568D+01          0.084819          0.195304
 Vib (Bot)    8  0.923097D+00         -0.034753         -0.080021
 Vib (Bot)    9  0.880525D+00         -0.055258         -0.127237
 Vib (Bot)   10  0.864820D+00         -0.063074         -0.145234
 Vib (Bot)   11  0.833041D+00         -0.079334         -0.182672
 Vib (Bot)   12  0.764640D+00         -0.116543         -0.268350
 Vib (Bot)   13  0.638682D+00         -0.194715         -0.448348
 Vib (Bot)   14  0.612139D+00         -0.213150         -0.490797
 Vib (Bot)   15  0.512542D+00         -0.290270         -0.668372
 Vib (Bot)   16  0.470599D+00         -0.327349         -0.753749
 Vib (Bot)   17  0.432090D+00         -0.364426         -0.839122
 Vib (Bot)   18  0.419631D+00         -0.377132         -0.868379
 Vib (Bot)   19  0.412397D+00         -0.384684         -0.885768
 Vib (Bot)   20  0.350731D+00         -0.455026         -1.047736
 Vib (Bot)   21  0.318795D+00         -0.496489         -1.143207
 Vib (Bot)   22  0.254469D+00         -0.594365         -1.368576
 Vib (Bot)   23  0.237284D+00         -0.624731         -1.438496
 Vib (V=0)       0.121668D+07          6.085177         14.011639
 Vib (V=0)    1  0.928691D+01          0.967871          2.228605
 Vib (V=0)    2  0.596072D+01          0.775299          1.785192
 Vib (V=0)    3  0.513806D+01          0.710800          1.636676
 Vib (V=0)    4  0.425204D+01          0.628598          1.447400
 Vib (V=0)    5  0.391832D+01          0.593100          1.365663
 Vib (V=0)    6  0.257482D+01          0.410747          0.945779
 Vib (V=0)    7  0.181449D+01          0.258754          0.595803
 Vib (V=0)    8  0.154981D+01          0.190279          0.438135
 Vib (V=0)    9  0.151258D+01          0.179719          0.413819
 Vib (V=0)   10  0.149896D+01          0.175789          0.404769
 Vib (V=0)   11  0.147157D+01          0.167782          0.386333
 Vib (V=0)   12  0.141360D+01          0.150328          0.346143
 Vib (V=0)   13  0.131112D+01          0.117642          0.270881
 Vib (V=0)   14  0.129039D+01          0.110720          0.254943
 Vib (V=0)   15  0.121603D+01          0.084944          0.195592
 Vib (V=0)   16  0.118663D+01          0.074316          0.171119
 Vib (V=0)   17  0.116083D+01          0.064770          0.149139
 Vib (V=0)   18  0.115276D+01          0.061737          0.142156
 Vib (V=0)   19  0.114813D+01          0.059991          0.138134
 Vib (V=0)   20  0.111075D+01          0.045615          0.105033
 Vib (V=0)   21  0.109298D+01          0.038614          0.088912
 Vib (V=0)   22  0.106103D+01          0.025728          0.059240
 Vib (V=0)   23  0.105345D+01          0.022613          0.052068
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.284930D+07          6.454738         14.862583
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           8665554444444443333333222221111100009999988888877766655444433322222211     
     2        87653109877542210                           051510999986210977641184321964309841776539755429616419172118509532216065432
     3        55570140481777193                           688214982050363352499009622428877465821568462178255282184903898568456216584
 
     X        XXXXXXXXXXXXXXXXX                           XX XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXX XXXXXXXXXXXX XXXX
     X             XXXX   XXX                             X  X           X            XX X X               X XXX                     
     X               XX    XX                             X              X            XX   X                  XX                     
     X                X    X                              X                           XX   X                  XX                     
     X                                                    X                           X    X                  X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000003950    0.000000493    0.000003928
      2        6          -0.000002634   -0.000000818   -0.000001355
      3        6          -0.000004008    0.000002802    0.000001211
      4        6           0.000007275    0.000000242    0.000001003
      5        6          -0.000000338   -0.000002106   -0.000001904
      6        6          -0.000002252    0.000001856    0.000001490
      7        6          -0.000001626    0.000002751    0.000002480
      8        6           0.000001749    0.000002742    0.000000321
      9        6           0.000004305   -0.000003614   -0.000000230
     10        6           0.000000224    0.000000674   -0.000001418
     11        6          -0.000005023   -0.000010681   -0.000004072
     12        6           0.000005907   -0.000007388   -0.000003413
     13        8          -0.000002214    0.000007560    0.000001045
     14        8          -0.000005393    0.000003572    0.000005679
     15        1           0.000000436    0.000000603   -0.000001048
     16        1           0.000000944    0.000000035   -0.000000101
     17        1          -0.000000008    0.000000207    0.000000005
     18        1           0.000000288   -0.000001043   -0.000000583
     19        1          -0.000000674   -0.000000951    0.000000981
     20        1          -0.000000981   -0.000001001   -0.000001355
     21        1          -0.000000234   -0.000003396    0.000001221
     22        1          -0.000000607   -0.000001257    0.000000368
     23        1           0.000000610   -0.000000741    0.000000531
     24        1           0.000002640   -0.000000288   -0.000000386
     25        1           0.000000532   -0.000000777   -0.000001346
     26        1           0.000000225    0.000001887   -0.000000605
     27        1          -0.000001470    0.000000592   -0.000001347
     28        1           0.000002741   -0.000000964    0.000000073
     29        6           0.000000491    0.000004169   -0.000003008
     30        1          -0.000002945    0.000005711    0.000003865
     31        1          -0.000000333   -0.000001169   -0.000000153
     32        1          -0.000001288    0.000000502   -0.000000707
     33        1          -0.000000288   -0.000000206   -0.000001170
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000010681 RMS     0.000002727
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.221160D+03  0.996501D+01  0.344458D+01
      2   0.996501D+01  0.143207D+03 -0.958163D+01
      3   0.344458D+01 -0.958163D+01  0.146295D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.366577D+01  0.458836D+01 -0.449092D+01
      2  -0.355094D+02 -0.252011D+01 -0.482589D+02
      3  -0.851652D+01  0.467003D+02 -0.342034D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.275102D+03 -0.270545D+02 -0.580460D+02
      2   0.132488D+03  0.318975D+02  0.351327D+02
      3   0.142614D+03 -0.484296D+01  0.229132D+02
      4   0.149633D+02 -0.913886D+02  0.686092D+01
      5  -0.836579D+01  0.822729D+01 -0.878387D+02
      6   0.129210D+02  0.366465D+02  0.192381D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.882588D+01  0.159042D+01  0.153579D+01 -0.284179D+01 -0.316426D+00
      2   0.159042D+01 -0.112056D+01  0.756448D+00 -0.316426D+00 -0.421981D+01
      3   0.153579D+01  0.756448D+00 -0.372219D+01 -0.215184D+01  0.871247D+00
                 6             7             8             9            10 
      1  -0.215184D+01  0.135371D+02  0.372443D+00  0.111818D+01 -0.294832D+02
      2   0.871247D+00  0.372443D+00 -0.129356D+01  0.143718D+01 -0.159162D+01
      3   0.715889D+00  0.111818D+01  0.143718D+01  0.140596D+01 -0.254876D+01
                11            12            13            14            15 
      1  -0.159162D+01 -0.254876D+01 -0.319733D+01 -0.409910D+01 -0.215961D+01
      2  -0.189423D+01  0.688962D+00 -0.409910D+01 -0.223679D+01 -0.622091D+00
      3   0.688962D+00 -0.274458D+01 -0.215961D+01 -0.622091D+00 -0.172353D+01
                16            17            18            19            20 
      1  -0.579201D+01 -0.227184D+01 -0.187897D+01 -0.115657D+02 -0.245001D+01
      2  -0.227184D+01 -0.699653D+00 -0.814427D+00 -0.245001D+01  0.280140D+01
      3  -0.187897D+01 -0.814427D+00 -0.106835D+01 -0.172502D+01 -0.181219D+01
                21            22            23            24            25 
      1  -0.172502D+01 -0.105401D+02  0.225629D-01 -0.443880D+00  0.752622D+01
      2  -0.181219D+01  0.225629D-01 -0.252728D+01  0.115117D+01  0.222268D+01
      3   0.100192D+01 -0.443880D+00  0.115117D+01  0.271545D+01 -0.162213D+00
                26            27            28            29            30 
      1   0.222268D+01 -0.162213D+00  0.262681D+02  0.328181D+01  0.293860D+01
      2   0.817463D+00  0.150895D+01  0.328181D+01  0.223433D+01 -0.323745D-01
      3   0.150895D+01  0.316067D+01  0.293860D+01 -0.323745D-01  0.269772D+01
                31            32            33            34            35 
      1   0.278605D+01  0.396403D+01  0.243273D+01  0.292591D+01  0.268579D+01
      2   0.396403D+01  0.172158D+01  0.138852D+01  0.268579D+01  0.177603D+01
      3   0.243273D+01  0.138852D+01  0.127682D+01  0.238180D+01 -0.518207D+00
                36            37            38            39            40 
      1   0.238180D+01 -0.773567D+01 -0.153776D+01 -0.196077D+01  0.388320D+01
      2  -0.518207D+00 -0.153776D+01  0.465629D+00 -0.617097D-01  0.105362D+01
      3   0.863064D+00 -0.196077D+01 -0.617097D-01  0.339988D+01  0.173115D+01
                41            42            43            44            45 
      1   0.105362D+01  0.173115D+01 -0.133199D+02 -0.140549D+01 -0.104590D+01
      2   0.391033D+01 -0.109930D+01 -0.140549D+01 -0.159107D+00 -0.732613D+00
      3  -0.109930D+01 -0.760285D+00 -0.104590D+01 -0.732613D+00 -0.181970D+01
                46            47            48            49            50 
      1   0.105183D+02  0.209490D+01  0.163329D+01  0.103936D+02 -0.563257D+00
      2   0.209490D+01 -0.167421D+01  0.850961D+00 -0.563257D+00  0.229684D+01
      3   0.163329D+01  0.850961D+00 -0.346408D+00  0.128387D+01 -0.169281D+01
                51            52            53            54            55 
      1   0.128387D+01 -0.730789D+01 -0.151679D+01  0.138980D+00  0.171246D+02
      2  -0.169281D+01 -0.151679D+01 -0.879938D+00 -0.130379D+01 -0.129396D+01
      3  -0.240751D+01  0.138980D+00 -0.130379D+01 -0.299969D+01 -0.140470D+00
                56            57            58            59            60 
      1  -0.129396D+01 -0.140470D+00 -0.445936D+01  0.500091D+01  0.947421D+00
      2   0.230000D+01  0.429818D+00  0.500091D+01  0.553756D+01 -0.333946D+00
      3   0.429818D+00  0.113944D+01  0.947421D+00 -0.333946D+00 -0.108161D+01
                61            62            63            64            65 
      1  -0.618834D+01  0.117840D+01  0.249045D+01 -0.279939D+01  0.441800D+01
      2   0.117840D+01 -0.174086D+01 -0.389342D+00  0.441800D+01 -0.201936D+01
      3   0.249045D+01 -0.389342D+00  0.567450D+01  0.128903D+01 -0.487724D+00
                66            67            68            69            70 
      1   0.128903D+01  0.114537D+02 -0.319871D+01 -0.456424D+00  0.843371D+01
      2  -0.487724D+00 -0.319871D+01 -0.486387D+01  0.655750D+00 -0.678942D+00
      3  -0.220715D+01 -0.456424D+00  0.655750D+00  0.177608D+01 -0.314250D+01
                71            72            73            74            75 
      1  -0.678942D+00 -0.314250D+01 -0.352740D+01 -0.377121D+01 -0.218944D+01
      2   0.157338D+01  0.176244D+01 -0.377121D+01  0.178296D+01  0.711967D+00
      3   0.176244D+01 -0.720277D+01 -0.218944D+01  0.711967D+00  0.270124D+01
                76            77            78            79            80 
      1  -0.582137D+01  0.336812D+01  0.901059D+00 -0.407524D+01  0.851978D+00
      2   0.336812D+01  0.571833D+01 -0.212261D+01  0.851978D+00 -0.234491D+01
      3   0.901059D+00 -0.212261D+01 -0.166528D+01  0.426952D+01 -0.127550D+01
                81            82            83            84            85 
      1   0.426952D+01 -0.357141D+01 -0.418461D+01 -0.277130D+01 -0.514599D+01
      2  -0.127550D+01 -0.418461D+01  0.209241D+01  0.888100D+00  0.214250D+01
      3   0.495536D+01 -0.277130D+01  0.888100D+00  0.182354D+01  0.824819D+00
                86            87            88            89            90 
      1   0.214250D+01  0.824819D+00 -0.400978D+01  0.977755D+00  0.267541D+01
      2   0.295976D+01 -0.139155D+01  0.977755D+00 -0.230258D+01 -0.309468D+01
      3  -0.139155D+01 -0.220400D+01  0.267541D+01 -0.309468D+01  0.473621D+01
                91            92            93            94            95 
      1  -0.368312D+01  0.748217D+00 -0.192740D+00  0.438296D+00 -0.493341D+01
      2   0.748217D+00 -0.221056D+01 -0.785548D+00 -0.493341D+01 -0.386116D+01
      3  -0.192740D+00 -0.785548D+00 -0.146965D+01 -0.247984D+01 -0.255998D+01
                96            97            98            99           100 
      1  -0.247984D+01  0.433092D+01 -0.195901D+01 -0.288990D+01 -0.211825D+01
      2  -0.255998D+01 -0.195901D+01 -0.961427D+00  0.279228D+01 -0.177040D+01
      3   0.169072D+01 -0.288990D+01  0.279228D+01 -0.171993D+01  0.109716D+01
               101           102           103           104           105 
      1  -0.177040D+01  0.109716D+01 -0.369304D+01  0.402323D+00  0.311083D+01
      2   0.191828D-01  0.125828D+01  0.402323D+00  0.367227D+00  0.177585D+00
      3   0.125828D+01  0.517777D+00  0.311083D+01  0.177585D+00 -0.373880D+01
               106           107           108           109           110 
      1   0.214353D+01  0.189308D+01 -0.775031D+00  0.536886D+01  0.228558D+01
      2   0.189308D+01  0.263832D+00 -0.265709D+01  0.228558D+01  0.137526D+01
      3  -0.775031D+00 -0.265709D+01  0.168103D+01 -0.333647D+01 -0.920276D+00
               111           112           113           114           115 
      1  -0.333647D+01  0.553422D+01  0.186978D+01 -0.202924D+01 -0.780446D+01
      2  -0.920276D+00  0.186978D+01  0.411773D+01 -0.189990D+01 -0.111240D+01
      3   0.149827D+01 -0.202924D+01 -0.189990D+01  0.295071D+01  0.380134D+01
               116           117           118           119           120 
      1  -0.111240D+01  0.380134D+01 -0.879244D+00  0.600295D-01  0.216561D+01
      2  -0.276917D+01  0.232978D+01  0.600295D-01 -0.141240D+01 -0.159465D+01
      3   0.232978D+01 -0.682698D+01  0.216561D+01 -0.159465D+01 -0.159440D+01
               121           122           123           124           125 
      1  -0.253392D+01  0.442052D+00 -0.162016D+01  0.459536D+01 -0.310878D+01
      2   0.442052D+00 -0.434171D+01  0.143792D+01 -0.310878D+01  0.362201D+01
      3  -0.162016D+01  0.143792D+01  0.986409D+00 -0.163017D+01  0.743777D+00
               126           127           128           129           130 
      1  -0.163017D+01 -0.334355D+01 -0.189947D+01  0.180608D+01 -0.224510D+01
      2   0.743777D+00 -0.189947D+01 -0.179694D+01  0.140273D+01 -0.163523D+01
      3   0.304865D+01  0.180608D+01  0.140273D+01 -0.145391D+01  0.181788D+01
               131           132           133           134           135 
      1  -0.163523D+01  0.181788D+01  0.215219D+01  0.157693D+01 -0.195267D+01
      2  -0.217132D+01  0.185568D+01  0.157693D+01  0.250570D+01 -0.239302D+01
      3   0.185568D+01 -0.243579D+01 -0.195267D+01 -0.239302D+01  0.333001D+01
               136           137           138           139           140 
      1   0.192364D+01 -0.600185D+00  0.204082D+01 -0.643108D+00  0.347037D+00
      2  -0.600185D+00  0.394878D+00 -0.657804D+00  0.347037D+00 -0.112523D+01
      3   0.204082D+01 -0.657804D+00  0.233078D+01 -0.880727D+00  0.133731D+01
               141           142           143           144           145 
      1  -0.880727D+00  0.199918D+01 -0.119564D+01  0.256712D+01  0.325725D+01
      2   0.133731D+01 -0.119564D+01  0.189177D+01 -0.273108D+01  0.147049D+01
      3  -0.311173D+01  0.256712D+01 -0.273108D+01  0.649915D+01 -0.147381D+01
               146           147           148           149           150 
      1   0.147049D+01 -0.147381D+01  0.186040D+01  0.118415D+01 -0.145674D+01
      2   0.123649D+01 -0.852140D+00  0.118415D+01  0.139495D+01 -0.130396D+01
      3  -0.852140D+00  0.127137D+01 -0.145674D+01 -0.130396D+01  0.200555D+01
               151           152           153           154           155 
      1  -0.207108D+01 -0.131520D+01  0.180529D+01 -0.173465D+01  0.577071D+00
      2  -0.131520D+01 -0.191818D+01  0.182406D+01  0.577071D+00 -0.254416D+00
      3   0.180529D+01  0.182406D+01 -0.318320D+01 -0.184566D+01  0.466789D+00
               156           157           158           159           160 
      1  -0.184566D+01  0.339120D+00 -0.266031D+00  0.656460D+00 -0.229979D+01
      2   0.466789D+00 -0.266031D+00  0.779483D+00 -0.106350D+01  0.105327D+01
      3  -0.215407D+01  0.656460D+00 -0.106350D+01  0.277056D+01 -0.251204D+01
               161           162           163           164           165 
      1   0.105327D+01 -0.251204D+01 -0.315661D+01 -0.161161D+01  0.195541D+00
      2  -0.147984D+01  0.219493D+01 -0.161161D+01 -0.167678D+01 -0.256573D+00
      3   0.219493D+01 -0.645199D+01  0.195541D+00 -0.256573D+00 -0.226467D+00
               166           167           168           169           170 
      1  -0.436347D+01 -0.314771D+01 -0.450049D+00  0.373757D+01  0.323398D+00
      2  -0.314771D+01 -0.818475D+01 -0.412869D+00  0.323398D+00  0.106975D+01
      3  -0.450049D+00 -0.412869D+00 -0.740460D+00 -0.507983D+00 -0.830321D+00
               171           172           173           174           175 
      1  -0.507983D+00 -0.111733D+01  0.297571D+00 -0.124093D+01  0.231386D+01
      2  -0.830321D+00  0.297571D+00 -0.463995D+00 -0.194316D+00 -0.700713D+00
      3  -0.256403D+00 -0.124093D+01 -0.194316D+00 -0.122888D+01  0.293163D+00
               176           177           178           179           180 
      1  -0.700713D+00  0.293163D+00 -0.303004D+01 -0.191719D+00 -0.207867D+01
      2  -0.327712D+00 -0.707470D+00 -0.191719D+00 -0.991307D+00 -0.736242D+00
      3  -0.707470D+00  0.841967D+00 -0.207867D+01 -0.736242D+00 -0.679749D+01
               181           182           183           184           185 
      1   0.943578D+00 -0.995105D+00  0.103989D+01 -0.192711D+01  0.322905D+00
      2  -0.995105D+00  0.394069D+00  0.488860D-01  0.322905D+00  0.500470D-01
      3   0.103989D+01  0.488860D-01  0.727279D+00 -0.992698D-01  0.869249D+00
               186           187           188           189           190 
      1  -0.992698D-01  0.190156D+01 -0.282541D-02  0.369092D+00 -0.940876D+00
      2   0.869249D+00 -0.282541D-02  0.123636D+01 -0.811622D+00 -0.120026D+01
      3  -0.856086D+00  0.369092D+00 -0.811622D+00  0.702197D+01  0.457407D+00
               191           192           193           194           195 
      1  -0.120026D+01  0.457407D+00 -0.337156D+01 -0.336093D+01  0.354524D+00
      2  -0.131231D+01  0.160934D+00 -0.336093D+01 -0.801155D+01  0.113007D+01
      3   0.160934D+00 -0.455252D+00  0.354524D+00  0.113007D+01 -0.115345D+01
               196           197           198           199           200 
      1   0.116674D+01  0.492003D+00 -0.105546D+01 -0.159816D+01  0.334260D+00
      2   0.492003D+00  0.151654D+01 -0.948626D+00  0.334260D+00 -0.403940D+00
      3  -0.105546D+01 -0.948626D+00  0.257893D+00 -0.122198D+01 -0.222413D-01
               201           202           203           204           205 
      1  -0.122198D+01  0.112423D+01 -0.869034D+00  0.272836D+00 -0.391074D+01
      2  -0.222413D-01 -0.869034D+00 -0.232502D+00 -0.603307D+00 -0.233718D+00
      3  -0.146322D+01  0.272836D+00 -0.603307D+00  0.775957D+00 -0.331033D+01
               206           207           208           209           210 
      1  -0.233718D+00 -0.331033D+01 -0.717690D+01  0.204282D+01  0.238753D+01
      2  -0.114702D+01  0.186896D+00  0.204282D+01 -0.146897D+01 -0.775716D+00
      3   0.186896D+00 -0.656759D+01  0.238753D+01 -0.775716D+00 -0.176046D+01
               211           212           213           214           215 
      1   0.513160D+01 -0.226927D+01 -0.128867D+01  0.499312D+01 -0.102912D+01
      2  -0.226927D+01  0.138151D+01  0.112212D+01 -0.102912D+01  0.144211D+01
      3  -0.128867D+01  0.112212D+01  0.136209D+01 -0.275815D+01  0.974674D+00
               216           217           218           219           220 
      1  -0.275815D+01 -0.419288D+01  0.321369D+01  0.174084D+01  0.265421D+01
      2   0.974674D+00  0.321369D+01 -0.331471D+01 -0.116186D+01 -0.292171D+01
      3   0.171544D+01  0.174084D+01 -0.116186D+01 -0.147263D+01 -0.114293D+01
               221           222           223           224           225 
      1  -0.292171D+01 -0.114293D+01  0.289458D+01 -0.188315D+01 -0.187590D+01
      2   0.394578D+01  0.168466D+01 -0.188315D+01  0.288386D+01  0.200053D+01
      3   0.168466D+01  0.140014D+01 -0.187590D+01  0.200053D+01  0.165594D+01
               226           227           228           229           230 
      1  -0.481475D+00  0.873313D+00 -0.761464D+00  0.694715D+00 -0.559117D+00
      2   0.873313D+00 -0.736719D+00  0.246373D+00 -0.559117D+00  0.107806D+01
      3  -0.761464D+00  0.246373D+00 -0.107637D+01  0.178200D+00 -0.981656D+00
               231           232           233           234           235 
      1   0.178200D+00 -0.175683D+01  0.684857D+00 -0.145229D+01  0.815291D+01
      2  -0.981656D+00  0.684857D+00 -0.244164D+01  0.229508D+01  0.120650D+01
      3   0.113042D+01 -0.145229D+01  0.229508D+01 -0.609715D+01  0.113367D+01
               236           237           238           239           240 
      1   0.120650D+01  0.113367D+01  0.988594D+00  0.140930D+01  0.207477D+00
      2   0.244292D+01  0.304931D+00  0.140930D+01  0.126131D+01  0.414257D+00
      3   0.304931D+00  0.748788D+00  0.207477D+00  0.414257D+00  0.668251D+00
               241           242           243           244           245 
      1   0.110152D+01  0.332999D+00  0.365052D+00 -0.284113D+00 -0.110192D+01
      2   0.332999D+00  0.776802D+00  0.840308D+00 -0.110192D+01  0.547109D+00
      3   0.365052D+00  0.840308D+00  0.157216D+00  0.117488D+01 -0.227433D+00
               246           247           248           249           250 
      1   0.117488D+01 -0.196349D+01  0.943421D+00 -0.438872D+00  0.213890D+01
      2  -0.227433D+00  0.943421D+00 -0.139290D+01  0.146669D+01 -0.226745D+00
      3   0.105838D+01 -0.438872D+00  0.146669D+01 -0.189934D+01  0.193781D+01
               251           252           253           254           255 
      1  -0.226745D+00  0.193781D+01 -0.763863D+01 -0.374650D+01 -0.398256D+01
      2   0.182531D+01 -0.150884D+01 -0.374650D+01  0.107288D+01  0.384734D+00
      3  -0.150884D+01  0.510677D+01 -0.398256D+01  0.384734D+00  0.168397D+01
               256           257           258           259           260 
      1   0.149105D+01  0.357118D+01  0.116888D+01 -0.363918D+01  0.567360D+00
      2   0.357118D+01  0.410627D+01  0.225609D+01  0.567360D+00  0.148248D+01
      3   0.116888D+01  0.225609D+01 -0.180853D+01  0.194394D+01 -0.301031D+01
               261           262           263           264           265 
      1   0.194394D+01  0.394687D+01 -0.272924D+01 -0.184565D+01 -0.173161D+01
      2  -0.301031D+01 -0.272924D+01  0.248799D+01  0.126715D+01  0.193514D+01
      3   0.133325D+00 -0.184565D+01  0.126715D+01  0.165022D+01  0.986089D+00
               266           267           268           269           270 
      1   0.193514D+01  0.986089D+00 -0.371515D+01  0.284883D+01  0.287618D+01
      2  -0.295529D+01 -0.116154D+01  0.284883D+01 -0.327751D+01 -0.243612D+01
      3  -0.116154D+01 -0.124134D+01  0.287618D+01 -0.243612D+01 -0.307578D+01
               271           272           273           274           275 
      1  -0.148636D+01  0.113160D+01  0.164225D+01  0.591264D+00 -0.820419D+00
      2   0.113160D+01 -0.209710D+01 -0.140040D+01 -0.820419D+00  0.174147D+01
      3   0.164225D+01 -0.140040D+01 -0.223326D+01 -0.537004D+00  0.125701D+01
               276           277           278           279           280 
      1  -0.537004D+00  0.205342D+01 -0.482828D+00 -0.111122D+01  0.339985D+00
      2   0.125701D+01 -0.482828D+00  0.230800D+01  0.255050D+01  0.684905D+00
      3   0.155278D+01 -0.111122D+01  0.255050D+01  0.414656D+01 -0.294365D+00
               281           282           283           284           285 
      1   0.684905D+00 -0.294365D+00  0.869866D+00 -0.139994D-01 -0.623599D-01
      2  -0.692629D+00  0.779284D-01 -0.139994D-01  0.294820D+01 -0.158121D+01
      3   0.779284D-01 -0.441052D+00 -0.623599D-01 -0.158121D+01  0.174244D+01
               286           287           288           289           290 
      1  -0.156537D+01 -0.494592D+00 -0.399581D+00  0.118449D+02  0.417268D+01
      2  -0.494592D+00 -0.335160D+01  0.160793D+01  0.417268D+01  0.290233D+01
      3  -0.399581D+00  0.160793D+01 -0.284802D+01  0.325300D+01  0.129796D+01
               291           292           293           294           295 
      1   0.325300D+01  0.193037D+01  0.169603D+01  0.530233D+00  0.285427D+01
      2   0.129796D+01  0.169603D+01  0.113544D+01  0.462359D+00  0.104701D+01
      3   0.179935D+01  0.530233D+00  0.462359D+00  0.465507D+00  0.179879D+01
               296           297 
      1   0.104701D+01  0.179879D+01
      2   0.766923D+00  0.114250D+01
      3   0.114250D+01  0.136532D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.236030D+01 -0.854250D+00 -0.249822D+01 -0.676642D+01 -0.156406D+01
      2   0.260014D+01 -0.207905D+01  0.210021D+01 -0.584724D+01  0.160202D+01
      3  -0.686304D+01 -0.348026D+01 -0.197212D-01  0.106297D+02 -0.120763D+01
                 6             7             8             9            10 
      1  -0.370504D+01 -0.435680D+01  0.256444D+01 -0.505185D+00 -0.983328D+00
      2  -0.146731D+01 -0.476016D+01 -0.137832D+01 -0.310595D+00  0.417058D+01
      3   0.314880D+01 -0.382147D+01 -0.130920D+01  0.331966D+01  0.129962D+02
                11            12            13            14            15 
      1  -0.167458D+01  0.138884D+01 -0.532786D+01  0.489533D+01 -0.680939D+01
      2   0.112319D+01 -0.319084D+01  0.734085D+01  0.291838D+01 -0.262385D+01
      3   0.144128D+01  0.647808D+00  0.144564D+02  0.148131D+01  0.952907D+00
                16            17            18            19            20 
      1   0.710655D+01  0.466775D+00 -0.562895D+01 -0.207781D+01  0.146971D+01
      2  -0.212052D+02 -0.228964D+01  0.132061D+01  0.126854D+01 -0.235081D+01
      3  -0.418627D+01  0.100536D+01 -0.102336D+01  0.247450D+01 -0.525089D+00
                21            22            23            24            25 
      1  -0.872751D+00  0.399199D+01  0.950285D+00  0.233663D-01  0.290927D+01
      2   0.833509D+01  0.248032D+01 -0.313863D+01  0.373080D+01 -0.887859D+01
      3   0.339707D+01  0.130522D+02  0.345518D+01  0.652508D+00  0.204393D+01
                26            27            28            29            30 
      1   0.335857D+01  0.395896D+01  0.126987D+01 -0.175682D+01  0.460089D+01
      2   0.886989D-01 -0.585579D-01 -0.381813D+01  0.877164D+00 -0.298745D+01
      3   0.294948D-01 -0.220451D+01 -0.126147D+02 -0.181366D+01 -0.260883D+01
                31            32            33            34            35 
      1  -0.172935D+01  0.530681D+01 -0.560009D+01  0.889134D+01  0.215906D+01
      2   0.683289D+01  0.285146D+01 -0.413296D+01 -0.204182D+02 -0.639480D+01
      3   0.136401D+02  0.107722D+01 -0.148179D+01 -0.956254D+01 -0.721999D+00
                36            37            38            39            40 
      1  -0.413040D+01  0.592242D+00 -0.128886D+01  0.429715D+00 -0.490688D+01
      2  -0.345574D+01  0.713103D+01 -0.922722D+00  0.291057D+01 -0.706457D+01
      3  -0.152198D+01  0.283082D+01 -0.178550D+01  0.269308D+01  0.888284D+01
                41            42            43            44            45 
      1  -0.259118D+01 -0.351433D+01 -0.424198D+01  0.154908D+01 -0.252562D+01
      2   0.112389D+01 -0.222573D+01  0.695110D-01 -0.298724D+00  0.254852D+00
      3  -0.740917D+00  0.282482D+01  0.870536D+01  0.105743D+01  0.506826D+01
                46            47            48            49            50 
      1  -0.334067D+00  0.260114D+01 -0.158367D+01  0.612568D+01  0.396491D+00
      2  -0.335033D+01 -0.361272D+01  0.837407D+01 -0.538842D+01 -0.347924D+01
      3  -0.117535D+02 -0.332748D+01  0.225675D+01  0.648887D+01  0.148294D+01
                51            52            53            54            55 
      1  -0.196159D+01  0.259092D+01  0.271690D+01  0.985664D+00 -0.185146D+01
      2   0.488157D+01 -0.541789D+01  0.730911D+00 -0.119221D+01  0.494483D+01
      3  -0.105329D+01  0.912197D+01  0.100138D+01 -0.208700D+01 -0.155500D+02
                56            57            58            59            60 
      1   0.505174D+00 -0.141226D+00 -0.273962D-01 -0.635243D+01 -0.272692D+01
      2  -0.160408D+01  0.389412D+00 -0.351234D+01  0.596692D+01  0.376288D+01
      3   0.607669D+01  0.186579D+01  0.277781D+02  0.129915D+02 -0.156381D+01
                61            62            63            64            65 
      1   0.934204D+00  0.210762D+01  0.631431D+01  0.205248D+01 -0.465990D+00
      2  -0.195885D+02  0.290931D+01 -0.206715D+02 -0.107320D+02  0.215454D+01
      3   0.935043D+01 -0.629584D+01 -0.490227D+01  0.256872D+02 -0.125011D+02
                66            67            68            69            70 
      1   0.745660D+00  0.120848D+01 -0.866028D+00 -0.236788D+01 -0.130664D+01
      2   0.110650D+02  0.419821D+01 -0.494740D+01 -0.626689D+01  0.108338D+02
      3  -0.216700D+01 -0.124283D+02 -0.191482D+02  0.298026D+01 -0.855862D+01
                71            72            73            74            75 
      1   0.396460D+01  0.140236D+01 -0.947839D+00 -0.273558D+00  0.117509D+01
      2  -0.879553D+01  0.335966D+02  0.140136D+02 -0.385980D+01 -0.140108D+02
      3   0.619305D+01  0.881015D+01 -0.190124D+02  0.108176D+02  0.517331D+01
                76            77            78            79            80 
      1  -0.105125D+01 -0.175235D+01 -0.186225D+01  0.214877D+01  0.128501D+01
      2  -0.524187D+01  0.133283D+02  0.828994D+01 -0.289401D+02  0.683140D+01
      3   0.271904D+02  0.325256D+02 -0.126720D+02  0.656055D+01 -0.134468D+02
                81            82            83            84            85 
      1   0.209263D+01  0.499457D+01 -0.180007D+01 -0.417974D+01 -0.203279D+01
      2  -0.284856D+02  0.102698D+02 -0.430029D+01 -0.552931D+01 -0.462922D+01
      3  -0.983555D+01 -0.272996D+02 -0.380708D+01 -0.164244D+01  0.109868D+01
                86            87            88            89            90 
      1   0.526550D+01  0.340934D+01 -0.611917D+01  0.924843D+01 -0.921153D+01
      2   0.541808D+01  0.851870D+01 -0.128965D+02  0.117588D+02 -0.185529D+02
      3   0.147755D+02 -0.370765D+01 -0.147568D+01 -0.652450D+01 -0.849204D+01
                91            92            93            94            95 
      1  -0.137555D+01 -0.211922D+01  0.745205D+00 -0.406293D+01 -0.211991D+01
      2   0.856182D+01 -0.215194D+01  0.180354D+00 -0.875267D+01 -0.439795D+01
      3  -0.632877D+01  0.215743D+01  0.215737D+01  0.232293D+02  0.110557D+02
                96            97            98            99           100 
      1  -0.651268D+01  0.337805D+01  0.189156D+01  0.388781D+01  0.182613D+01
      2   0.839064D+01 -0.230310D+02  0.100348D+02 -0.421508D+01 -0.163263D+02
      3   0.809175D+01  0.877177D+01  0.465497D+01 -0.102415D+02  0.157031D+02
               101           102           103           104           105 
      1   0.688497D+01 -0.943627D+00  0.298890D+01  0.534221D+01  0.150854D+01
      2   0.652856D+01  0.484803D+01  0.101797D+02  0.113007D+01 -0.102502D+02
      3  -0.504709D+01 -0.487725D+01  0.244088D+00 -0.423234D+01 -0.399122D+01
               106           107           108           109           110 
      1  -0.299937D+01  0.652461D+00 -0.286060D+01 -0.169042D+01 -0.441125D+01
      2  -0.676292D+01 -0.896133D+01  0.183074D+02 -0.521417D+01 -0.337476D+01
      3  -0.204033D+01 -0.120207D+02  0.810264D+01 -0.994363D+01 -0.834423D+01
               111           112           113           114           115 
      1  -0.833332D+00 -0.930730D+00 -0.553699D+01 -0.269905D+01 -0.149852D+00
      2   0.810726D+01 -0.680492D+01 -0.855660D+01  0.110473D+02  0.105105D+02
      3   0.362710D+01 -0.211022D+01 -0.162225D+02  0.758911D+01 -0.296720D+01
               116           117           118           119           120 
      1   0.794176D+01  0.460339D+00  0.318392D+01 -0.146928D+01 -0.721995D+00
      2   0.993437D+01 -0.310495D+02  0.101783D+02 -0.703264D+01 -0.337012D+01
      3   0.151993D+02 -0.864699D+01 -0.399924D+00  0.284937D+01  0.371460D+01
               121           122           123           124           125 
      1   0.971188D+00  0.163233D+01 -0.599245D+01 -0.328557D+01  0.283098D+01
      2  -0.250615D+01  0.549482D+01  0.982533D+00 -0.715664D+01  0.252079D+01
      3   0.284436D+01  0.187729D+02 -0.486127D+01  0.769294D+01 -0.986781D+01
               126           127           128           129           130 
      1   0.591976D+01  0.223006D+00 -0.180549D+01 -0.881530D+00  0.872207D+00
      2   0.117040D+02  0.510919D+01  0.119054D+01  0.843857D-01  0.175445D+01
      3   0.174962D+00  0.425464D+01 -0.466473D+00 -0.903357D+00  0.406718D+01
               131           132           133           134           135 
      1  -0.238086D+00 -0.329342D+01 -0.547307D+00  0.192323D+01  0.170968D+01
      2   0.420300D+00  0.534024D+00 -0.282531D+01 -0.469656D-01 -0.160042D+01
      3  -0.108854D+01 -0.531549D+00 -0.158125D+01  0.163764D+01  0.547187D-01
               136           137           138           139           140 
      1   0.143556D+01  0.981974D+00  0.219671D+01 -0.442116D+00 -0.722004D+00
      2  -0.341245D+01  0.283712D+00 -0.718988D+00  0.456329D+00  0.114852D+00
      3  -0.301390D+01 -0.396380D+00 -0.173810D+01  0.155797D+01  0.673971D+00
               141           142           143           144           145 
      1  -0.289246D+01  0.531156D+00  0.317179D+01  0.221253D+01 -0.127277D+01
      2  -0.123580D+01 -0.447744D+01  0.158535D+00  0.944252D+00  0.576346D+01
      3   0.494188D+00 -0.243203D+01 -0.799555D+00 -0.153430D+01  0.295439D+01
               146           147           148           149           150 
      1  -0.256616D+01 -0.280701D+00 -0.821190D+00 -0.124040D+01 -0.189586D+01
      2   0.144322D+01 -0.274798D+00  0.311791D+01  0.626207D+00  0.463676D+00
      3  -0.836336D+00 -0.459180D+00  0.276091D+01 -0.945809D+00  0.708908D-02
               151           152           153           154           155 
      1   0.347070D+00  0.273427D+01  0.331991D+00 -0.356784D+00  0.130899D+01
      2  -0.263573D+01 -0.367963D+00 -0.115471D+01 -0.371905D+01  0.560427D+00
      3  -0.733659D+00  0.213112D+01 -0.266004D+00 -0.125142D+01 -0.505796D+00
               156           157           158           159           160 
      1   0.619354D+00  0.120470D+00 -0.124769D+01 -0.100848D+01 -0.137718D+01
      2  -0.508458D+00  0.406399D+00  0.232163D+00 -0.143706D+01 -0.487087D+01
      3  -0.324935D+00  0.112726D+01  0.655265D+00 -0.222594D+00 -0.643903D+00
               161           162           163           164           165 
      1   0.445854D+01 -0.128974D+01  0.112331D+01  0.979937D+00 -0.917645D+00
      2   0.145406D+00  0.175382D+01 -0.347342D+01 -0.494803D+00  0.208625D+01
      3  -0.143897D+01  0.115597D+00 -0.163831D+01 -0.500739D+01 -0.837077D+00
               166           167           168           169           170 
      1   0.155142D+01  0.550039D+01 -0.310982D+01 -0.885270D+00 -0.935696D+00
      2  -0.146807D+01 -0.218299D+01  0.268841D+01  0.149803D+01  0.249785D+01
      3  -0.240222D+01 -0.225512D+02 -0.126474D+01 -0.249307D+01  0.335809D+01
               171           172           173           174           175 
      1   0.194379D+00 -0.156901D+01  0.586290D+00 -0.955634D+00  0.118344D-01
      2   0.102657D+01  0.385919D+01  0.737179D+00  0.473578D+01  0.101624D+01
      3  -0.150922D+01  0.275032D+01 -0.270409D+01  0.690427D+00 -0.209464D+01
               176           177           178           179           180 
      1  -0.632654D+00  0.156167D+00 -0.180988D+01  0.302450D+01 -0.716053D+01
      2   0.139450D+01 -0.306746D+01  0.608445D+00  0.200409D+01  0.206251D+02
      3  -0.381039D+00 -0.212822D+01  0.209342D+01 -0.348427D+01  0.776868D+00
               181           182           183           184           185 
      1  -0.151959D+01  0.827797D+00 -0.145788D+00  0.345707D+00 -0.248537D+00
      2  -0.715394D+01  0.593320D+00 -0.346905D+01  0.211033D+01 -0.404076D+01
      3  -0.467560D+01  0.129459D+01 -0.202936D+00  0.390389D+01  0.189854D+00
               186           187           188           189           190 
      1  -0.599472D+00 -0.701958D+00  0.341391D+01 -0.108031D+01  0.132912D+00
      2   0.404819D+01 -0.720889D+01  0.389705D+01 -0.299336D+02 -0.266791D+01
      3   0.367265D+01 -0.605950D+00  0.481167D+01 -0.361633D+01 -0.634111D+01
               191           192           193           194           195 
      1   0.701580D-01 -0.639549D+00  0.244894D+00  0.337201D+00 -0.345576D+01
      2  -0.814507D+00  0.310974D+01 -0.164215D+01 -0.688938D+01  0.740299D+01
      3  -0.781040D+01  0.572280D+00 -0.127558D+02 -0.435295D+02  0.629162D+01
               196           197           198           199           200 
      1  -0.531949D+00  0.412256D+00  0.435488D+00 -0.664973D+00  0.471937D+00
      2   0.435139D+01  0.510455D+01 -0.131046D+01  0.704172D+01  0.181114D+00
      3   0.160766D+01  0.845144D+01 -0.429514D+01  0.261786D+01 -0.334581D+01
               201           202           203           204           205 
      1  -0.855756D+00  0.146362D+00 -0.469267D+00 -0.467846D+00 -0.114851D+01
      2   0.944417D+01 -0.929757D+00  0.306081D+01 -0.444177D+01  0.144823D+02
      3   0.507145D+00 -0.378497D+01 -0.735447D+00 -0.311472D+01  0.499230D+00
               206           207           208           209           210 
      1   0.310306D+01 -0.273069D+01  0.870826D+00 -0.986001D+00  0.223908D-01
      2  -0.139860D+01  0.376368D+02 -0.128275D+02  0.434352D+01  0.125892D+02
      3  -0.721607D+01  0.325563D+01  0.138769D+02 -0.118839D+02 -0.556090D+01
               211           212           213           214           215 
      1  -0.361938D+00  0.100467D+01 -0.652758D+00 -0.545146D+00  0.184573D+01
      2   0.657673D+01 -0.642571D+01 -0.887080D+01  0.137401D+02 -0.564343D+01
      3  -0.129050D+02  0.966962D+01  0.699038D+01 -0.720375D+01  0.981959D+01
               216           217           218           219           220 
      1   0.101968D+00 -0.363522D+01  0.171949D+01  0.458686D+01  0.276497D+01
      2  -0.101808D+02 -0.640250D+01  0.466780D+01  0.747603D+01  0.396390D+01
      3   0.673317D+01  0.481704D+01 -0.992063D+01 -0.149819D+01 -0.349755D+01
               221           222           223           224           225 
      1  -0.294284D+01 -0.455207D+01  0.398585D+01 -0.224143D+01 -0.375620D+01
      2  -0.653866D+01 -0.655333D+01  0.587381D+01 -0.780672D+01 -0.689115D+01
      3   0.113704D+02  0.433770D+01 -0.125063D+01  0.914345D+01  0.491202D+01
               226           227           228           229           230 
      1   0.147830D+01 -0.420126D-01  0.222917D+01 -0.472881D+00  0.155312D+01
      2   0.285564D+01 -0.952511D+00  0.450033D+01 -0.282560D+00  0.336597D+01
      3   0.341551D+01 -0.245298D+01  0.424509D-01  0.350335D+00  0.312438D+01
               231           232           233           234           235 
      1  -0.374281D+01  0.261910D+01 -0.110222D+01  0.130383D+02 -0.113222D+01
      2  -0.398713D+01  0.166187D+01 -0.839028D+01  0.231879D+02 -0.403491D+01
      3  -0.323451D+01 -0.125304D+01 -0.943728D+01  0.739859D+01  0.259337D+02
               236           237           238           239           240 
      1  -0.304305D+00 -0.248068D+01 -0.150958D+00 -0.740141D+00 -0.193309D+01
      2  -0.948013D+00 -0.123758D+01 -0.592690D+00 -0.155504D+01 -0.120440D+01
      3   0.980492D+01  0.357952D+01  0.101213D+02  0.627543D+01  0.222783D+01
               241           242           243           244           245 
      1  -0.194800D+01 -0.726196D-01 -0.415381D-01 -0.186040D+01  0.889585D+00
      2  -0.402669D+01 -0.249398D+01 -0.249513D+00  0.436552D+01  0.462499D+00
      3   0.320598D+01  0.326560D+01  0.400102D+01  0.389705D+01 -0.237455D+01
               246           247           248           249           250 
      1  -0.657989D+00  0.643355D+00 -0.282154D+01  0.576658D+00 -0.102928D+01
      2   0.326784D+01  0.146763D+01  0.403529D+01 -0.563325D+01  0.152623D+01
      3   0.111838D+01 -0.423589D+00  0.441454D+01 -0.466589D+01  0.104837D+00
               251           252           253           254           255 
      1   0.437428D+01 -0.241547D+01  0.367342D+01  0.135032D+01 -0.482725D+01
      2  -0.497471D+01  0.139267D+02 -0.553757D+01  0.446347D+01  0.122532D+02
      3  -0.611531D+01  0.558963D+01 -0.348701D+01 -0.142278D+02 -0.939918D+01
               256           257           258           259           260 
      1   0.302195D+01 -0.425259D-01  0.721177D+01 -0.264700D+01  0.124439D+02
      2   0.272172D+01  0.448992D+01 -0.883908D+01  0.886565D+01 -0.111466D+02
      3  -0.142747D+02 -0.981798D+01 -0.717866D+01 -0.820904D+01 -0.477779D+01
               261           262           263           264           265 
      1  -0.377064D+01 -0.253191D+01  0.967731D+00  0.289099D+01  0.210970D+01
      2  -0.883234D+00 -0.615162D+01  0.518463D+01  0.660016D+01  0.352314D+01
      3   0.140296D+02  0.525797D+01 -0.758056D+01 -0.241942D+01 -0.395684D+01
               266           267           268           269           270 
      1  -0.193447D+01 -0.242807D+01  0.344587D+01 -0.151837D+01 -0.463786D+01
      2  -0.491572D+01 -0.529072D+01  0.954207D+01 -0.941146D+01 -0.129858D+02
      3   0.896294D+01  0.317304D+01 -0.625382D+01  0.108269D+02  0.659471D+01
               271           272           273           274           275 
      1  -0.240512D+01 -0.106134D+01  0.401401D+01 -0.410850D+00 -0.448490D+00
      2   0.839810D+01 -0.506847D+01 -0.793914D+01 -0.243121D+01  0.501835D+01
      3  -0.845928D+01  0.730853D+01  0.752189D+01  0.546677D+01 -0.653239D+01
               276           277           278           279           280 
      1  -0.306045D+01  0.258441D+01 -0.473197D+00 -0.579133D+01  0.235501D+01
      2   0.516452D+01 -0.805332D+01  0.808191D+01  0.132020D+02 -0.197434D+01
      3  -0.520480D+01  0.652320D+01 -0.766875D+01 -0.109562D+02 -0.317807D+01
               281           282           283           284           285 
      1  -0.648381D+00  0.197873D+01 -0.550717D-01  0.651070D+01 -0.719895D+01
      2  -0.255252D+00 -0.136521D+01 -0.839221D+00 -0.507315D+01  0.544165D+01
      3   0.274342D+01 -0.138310D+01  0.288821D+01 -0.928597D+01  0.524530D+01
               286           287           288           289           290 
      1   0.150974D+01 -0.517550D+01  0.109545D+02 -0.136339D+01  0.191236D+01
      2  -0.287832D+01  0.551929D+01 -0.915042D+01 -0.201251D+01  0.236222D+00
      3  -0.312281D+01  0.100267D+02 -0.685197D+01  0.736205D+01 -0.596023D+01
               291           292           293           294           295 
      1  -0.320653D+01  0.708693D+00  0.607817D+00 -0.199739D+01 -0.237038D+01
      2   0.529926D+01 -0.213689D+00 -0.451018D+00  0.217998D+01  0.188004D+01
      3   0.126744D+01 -0.556536D+00 -0.155111D+01 -0.795234D-01  0.211376D+01
               296           297 
      1  -0.512670D+00 -0.125483D+01
      2   0.259755D+01  0.312164D+01
      3  -0.148830D+01 -0.952796D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.835378D+01 -0.119391D+02  0.217365D+02  0.141154D+02 -0.146596D+02
      2  -0.363173D+01  0.408413D+01 -0.246441D+01 -0.687475D+00  0.226526D+02
      3   0.119855D+02  0.785493D+01 -0.192721D+02 -0.134279D+02 -0.799304D+01
      4  -0.979122D+01 -0.601115D+01  0.858506D+01  0.210080D+01  0.660731D+00
      5   0.880919D+01  0.621304D+01  0.432789D+01  0.828013D+01  0.261253D+01
      6   0.561202D+01 -0.326047D+01  0.365048D+01  0.623831D+01 -0.188280D+00
                 6             7             8             9            10 
      1   0.320194D+01 -0.357738D+02 -0.139100D+02  0.753345D+01  0.543998D+02
      2  -0.536264D+01  0.119481D+02  0.724184D+01 -0.943821D+01 -0.210649D+02
      3   0.216070D+01  0.238256D+02  0.666814D+01  0.190477D+01 -0.333349D+02
      4   0.341278D+01 -0.391223D+01  0.661861D+00 -0.501534D+01  0.682880D+00
      5  -0.710121D+01  0.749019D+01 -0.651353D+01  0.242686D+01  0.336796D+01
      6   0.905300D+00 -0.109483D+02 -0.678285D+01  0.734841D+01  0.210133D+01
                11            12            13            14            15 
      1   0.273842D+00  0.478503D+01 -0.656611D+01 -0.582371D+01  0.842311D+01
      2   0.198880D+01 -0.500813D+01  0.415857D+01  0.634417D+01 -0.396043D+01
      3  -0.226264D+01  0.223097D+00  0.240754D+01 -0.520460D+00 -0.446268D+01
      4   0.219958D+01 -0.455088D+01  0.813513D+01  0.276085D+01  0.955699D+00
      5  -0.446729D+01  0.391510D+01  0.135237D+02  0.816257D-01  0.193315D+01
      6  -0.152917D+01  0.318858D+01  0.466982D+01  0.383542D+01  0.114606D+02
                16            17            18            19            20 
      1   0.748041D+01  0.107721D+02 -0.144178D+02  0.127339D+02  0.194372D+02
      2   0.349053D+01  0.523814D+01  0.346651D+01  0.312397D+01 -0.145681D+02
      3  -0.109709D+02 -0.160102D+02  0.109513D+02 -0.158578D+02 -0.486908D+01
      4   0.193438D+02  0.176015D+01 -0.982350D+00  0.335603D+01  0.351121D+01
      5  -0.923515D+01 -0.902976D-01  0.339609D+01 -0.138912D+02  0.195790D+01
      6   0.462884D+01  0.568929D+01 -0.472936D+01 -0.276403D+01  0.516190D+01
                21            22            23            24            25 
      1  -0.187596D+02 -0.107976D+02 -0.299691D+01 -0.157727D+02  0.150731D+02
      2   0.121842D+02  0.246051D+01  0.113132D+02 -0.569339D+01 -0.436006D+01
      3   0.657532D+01  0.833712D+01 -0.831630D+01  0.214661D+02 -0.107131D+02
      4   0.379874D-01  0.120950D+02 -0.640387D+01 -0.598970D+00  0.231722D+01
      5  -0.113158D+02 -0.267348D+01 -0.475361D+00 -0.551490D+00  0.816804D+01
      6  -0.709680D+01 -0.371579D+01 -0.281250D+01  0.702934D+00  0.126162D+02
                26            27            28            29            30 
      1  -0.672541D+01  0.717646D+00  0.972683D+01  0.350851D+01  0.266674D+00
      2  -0.153703D+01 -0.287302D+01 -0.162449D+01 -0.257755D+01 -0.299537D+01
      3   0.826245D+01  0.215537D+01 -0.810234D+01 -0.930962D+00  0.272870D+01
      4  -0.242289D+01  0.809161D+01  0.317901D+01  0.477686D+01 -0.187291D+01
      5   0.791385D+01 -0.605011D+01  0.720466D+01 -0.127001D+01  0.622777D+01
      6   0.206623D+01  0.124088D+02  0.735256D+01  0.311238D+01 -0.797158D+00
                31            32            33            34            35 
      1  -0.968464D+01 -0.785540D+01  0.977008D+01  0.115632D+01  0.125446D+02
      2  -0.136797D+01  0.274790D+01 -0.442225D+01  0.508646D+01  0.345317D+01
      3   0.110526D+02  0.510750D+01 -0.534783D+01 -0.624279D+01 -0.159978D+02
      4   0.863805D+01  0.304715D+01  0.274262D+01  0.212228D+02  0.282761D+01
      5   0.180994D+02  0.381642D+01  0.144550D+01 -0.635062D+01 -0.315003D+01
      6   0.374773D+01  0.516514D+01  0.102457D+02  0.236006D+01  0.578304D+01
                36            37            38            39            40 
      1  -0.164264D+02  0.293508D+01 -0.921853D+01  0.231202D+02  0.108374D+02
      2   0.398373D+01 -0.881915D+01  0.230830D+01 -0.497486D+01  0.111553D+01
      3   0.124427D+02  0.588407D+01  0.691023D+01 -0.181453D+02 -0.119529D+02
      4  -0.307365D+01 -0.128482D+02 -0.525683D+01  0.601124D+01  0.521005D+01
      5  -0.156319D+01  0.980237D+01  0.365695D+01  0.441347D+01  0.425542D+01
      6  -0.640806D+01  0.398816D+01 -0.373934D+01 -0.148040D+01  0.348564D+01
                41            42            43            44            45 
      1  -0.627276D+01 -0.486737D+00 -0.213118D+02 -0.117129D+02  0.100025D+02
      2   0.125993D+02 -0.201919D+01  0.361686D+01  0.292121D+01 -0.829838D+01
      3  -0.632655D+01  0.250592D+01  0.176949D+02  0.879173D+01 -0.170409D+01
      4   0.747520D+00  0.781819D+00 -0.775271D+01 -0.395127D+01 -0.582723D+01
      5   0.223472D+01 -0.801283D+01  0.911453D+01 -0.522529D+01  0.142692D+01
      6   0.201708D+01  0.239099D+01 -0.127624D+02 -0.449303D+01  0.771701D+01
                46            47            48            49            50 
      1  -0.476415D+01  0.119884D+02 -0.162117D+02 -0.217906D+02  0.215615D+01
      2   0.104688D+02 -0.642689D+01  0.986495D+01  0.821320D+01  0.444977D+01
      3  -0.570466D+01 -0.556148D+01  0.634678D+01  0.135774D+02 -0.660592D+01
      4   0.825609D+01  0.738477D+01 -0.135012D+01  0.133548D+02 -0.441485D+01
      5  -0.141771D+02  0.104165D+01 -0.903665D+01 -0.788828D+01 -0.266435D+00
      6   0.265615D+00  0.335220D+01 -0.573428D+01 -0.291321D+01  0.180113D+01
                51            52            53            54            55 
      1  -0.213590D+02  0.240164D+02 -0.599759D+01 -0.314778D+00 -0.542126D+02
      2   0.191793D+00 -0.667027D+01 -0.132650D+01  0.200739D+00  0.200943D+02
      3   0.211672D+02 -0.173461D+02  0.732409D+01  0.114039D+00  0.341183D+02
      4   0.274374D+00  0.233641D+01 -0.110909D+01  0.510827D+01  0.980785D+01
      5   0.829792D-01  0.581372D+01  0.486162D+01 -0.585775D+01  0.631387D+01
      6   0.402601D+01  0.858072D+01  0.335273D+01  0.155498D+02  0.118667D+01
                56            57            58            59            60 
      1   0.120918D+02  0.547132D+01  0.426483D+02 -0.108003D+02 -0.589020D+01
      2  -0.806476D+01 -0.819632D+00 -0.313707D+02 -0.116594D+02  0.125808D+01
      3  -0.402705D+01 -0.465169D+01 -0.112776D+02  0.224597D+02  0.463212D+01
      4  -0.167903D+02 -0.249024D+01 -0.337434D+02 -0.408093D+02  0.224027D+01
      5  -0.257538D+01 -0.773637D+01 -0.591164D+01  0.358151D+01  0.663984D+01
      6  -0.179530D+01 -0.910250D+00 -0.365189D+01 -0.156960D+01  0.172092D+01
                61            62            63            64            65 
      1   0.400346D+02 -0.831050D+01 -0.156499D+01 -0.264826D+02 -0.366654D+02
      2  -0.116198D+02  0.563084D+01  0.135449D+02  0.189670D+02  0.153267D+02
      3  -0.284148D+02  0.267965D+01 -0.119799D+02  0.751553D+01  0.213387D+02
      4  -0.746231D+01  0.119056D+02  0.244490D+01 -0.400370D+02  0.154530D+02
      5  -0.193560D+02  0.266313D+01 -0.396470D+02 -0.143032D+02  0.376707D+01
      6  -0.192028D+01  0.466261D+00 -0.583557D+01  0.181659D+01  0.175986D+01
                66            67            68            69            70 
      1  -0.114273D+02 -0.747388D+02  0.290902D+02  0.246714D-02 -0.442872D+02
      2   0.784718D+01  0.384521D+02 -0.178954D+02  0.135733D+00  0.183893D+02
      3   0.358015D+01  0.362867D+02 -0.111948D+02 -0.138200D+00  0.258979D+02
      4   0.346405D+01  0.261392D+02  0.395998D+02 -0.583889D+01  0.551775D+01
      5   0.160859D+02  0.592475D+01 -0.699484D+01 -0.130449D+02  0.326837D+02
      6  -0.328703D+00 -0.109463D+01  0.281514D+01 -0.769010D+00 -0.141912D+01
                71            72            73            74            75 
      1   0.171572D+01  0.277228D+02  0.353981D+02  0.438215D+02  0.258994D+02
      2  -0.107322D+01 -0.731591D+01 -0.163284D+02 -0.249519D+02 -0.119360D+02
      3  -0.642498D+00 -0.204069D+02 -0.190697D+02 -0.188697D+02 -0.139635D+02
      4  -0.115659D+02 -0.141754D+02  0.443985D+02 -0.191447D+02 -0.778886D+01
      5  -0.136554D+02  0.595210D+02  0.285606D+02 -0.866445D+01 -0.307326D+02
      6   0.503567D+01  0.487893D+00 -0.121834D+00  0.126256D+01 -0.248131D+00
                76            77            78            79            80 
      1   0.609031D+02 -0.283009D+02 -0.121174D+02  0.419058D+02 -0.105726D+02
      2  -0.363762D+02  0.577537D+01  0.763874D+01 -0.172788D+02  0.736835D+01
      3  -0.245269D+02  0.225256D+02  0.447864D+01 -0.246271D+02  0.320430D+01
      4  -0.362057D+02 -0.611180D+02  0.238339D+02 -0.946899D+01  0.241916D+02
      5  -0.117439D+02  0.262260D+02  0.180496D+02 -0.507922D+02  0.148006D+02
      6   0.374396D+01  0.375993D+01 -0.536960D+00  0.417171D+00 -0.125832D+01
                81            82            83            84            85 
      1  -0.409293D+02  0.393907D+02  0.282093D+02  0.204203D+02  0.326117D+02
      2   0.273117D+02 -0.302602D+02 -0.862574D+01 -0.793483D+01 -0.119761D+02
      3   0.136176D+02 -0.913055D+01 -0.195835D+02 -0.124854D+02 -0.206356D+02
      4   0.149988D+02  0.258537D+02 -0.263133D+02 -0.140951D+02 -0.299506D+02
      5  -0.550470D+02  0.204833D+02 -0.101311D+02 -0.152241D+02 -0.938688D+01
      6  -0.284235D+01 -0.130698D+02  0.356142D+01  0.853829D+01  0.506269D+01
                86            87            88            89            90 
      1  -0.286236D+02 -0.329299D+01  0.274415D+02 -0.691154D+01 -0.996864D+01
      2   0.230344D+02 -0.402671D+01 -0.802547D+01 -0.324859D+01  0.393535D+01
      3   0.558921D+01  0.731969D+01 -0.194160D+02  0.101601D+02  0.603329D+01
      4  -0.156556D+02  0.126011D+02 -0.151282D+02  0.211784D+02  0.299543D+02
      5   0.122358D+02  0.181546D+02 -0.241469D+02  0.256639D+02 -0.374537D+02
      6  -0.968794D+01 -0.879017D+01  0.116634D+02 -0.129954D+02  0.173186D+02
                91            92            93            94            95 
      1   0.775637D+01  0.160109D+02  0.887066D+01  0.173117D+02 -0.138337D+01
      2  -0.455675D+01 -0.121003D+02 -0.169303D+01 -0.187902D+02 -0.506108D+01
      3  -0.319962D+01 -0.391062D+01 -0.717762D+01  0.147850D+01  0.644446D+01
      4   0.116448D+02 -0.908251D+01 -0.289366D+01 -0.318174D+02 -0.228983D+02
      5   0.551759D+01 -0.300111D+01 -0.701500D+01 -0.162718D+02 -0.158854D+02
      6   0.896899D+00 -0.455695D+01 -0.179300D+01 -0.110046D+02 -0.100243D+02
                96            97            98            99           100 
      1  -0.649027D+01  0.224745D+02 -0.848022D+01 -0.947192D+01 -0.654904D+01
      2  -0.642625D+01 -0.833786D+01 -0.498342D+01  0.124153D+02  0.390761D+01
      3   0.129165D+02 -0.141366D+02  0.134636D+02 -0.294341D+01  0.264143D+01
      4  -0.152731D+02 -0.149769D+02 -0.621087D+01  0.194200D+02 -0.106900D+02
      5   0.136645D+02 -0.195854D+02  0.197744D+02 -0.149703D+02  0.131098D+02
      6  -0.844278D+01  0.171929D+01 -0.156807D+01  0.597130D+01  0.301301D+01
               101           102           103           104           105 
      1  -0.116104D+02  0.282071D+01 -0.198975D+02  0.846494D+00  0.203164D+02
      2   0.113772D+02 -0.690002D+01  0.206518D+02 -0.897755D+01 -0.187603D+02
      3   0.233179D+00  0.407931D+01 -0.754230D+00  0.813106D+01 -0.155607D+01
      4  -0.567272D+01  0.115343D+02 -0.738814D+01  0.815544D+01 -0.137422D+01
      5   0.120941D+02 -0.185559D+01  0.333648D+02 -0.114805D+01 -0.265834D+02
      6   0.376376D+01 -0.130816D+01 -0.176051D+01  0.441954D+01 -0.106631D+01
               106           107           108           109           110 
      1   0.243989D+02  0.157110D+02 -0.115821D+01  0.485626D+02  0.163795D+02
      2  -0.167463D+02 -0.946334D+01  0.954846D+01 -0.304329D+02 -0.991896D+01
      3  -0.765255D+01 -0.624763D+01 -0.839025D+01 -0.181298D+02 -0.646054D+01
      4   0.206403D+02  0.130021D+02 -0.222099D+02  0.202828D+02  0.196980D+02
      5  -0.112131D+02 -0.219198D+02  0.275602D+02 -0.357514D+02 -0.111541D+02
      6  -0.422247D+01 -0.424627D+01  0.407512D+01 -0.478688D+01 -0.425638D+01
               111           112           113           114           115 
      1  -0.242924D+02  0.314998D+02  0.736790D+01 -0.955805D+01 -0.422711D+02
      2   0.176409D+02 -0.181899D+02 -0.305873D+01  0.109650D+02  0.286782D+02
      3   0.665144D+01 -0.133099D+02 -0.430916D+01 -0.140699D+01  0.135929D+02
      4  -0.864171D+01  0.218944D+02  0.338917D+02 -0.163995D+02 -0.109561D+02
      5   0.235556D+02 -0.215941D+02 -0.170080D+02  0.248041D+02  0.431128D+02
      6   0.359060D+01 -0.516282D+01 -0.840073D+01  0.106628D+02  0.203198D+01
               116           117           118           119           120 
      1  -0.450064D+01  0.994257D+01  0.849067D+00 -0.565574D+01  0.154607D+02
      2   0.787962D+01 -0.291871D+02  0.206253D+01  0.165082D+01 -0.645071D+01
      3  -0.337898D+01  0.192446D+02 -0.291160D+01  0.400492D+01 -0.900994D+01
      4  -0.278873D+02  0.208960D+02  0.830075D+00 -0.379583D+01 -0.177438D+02
      5   0.206522D+02 -0.633669D+02  0.208458D+02 -0.141682D+02 -0.852306D+01
      6   0.122138D+02 -0.891611D+01 -0.867678D+01  0.695010D+01  0.444604D+01
               121           122           123           124           125 
      1  -0.100657D+02 -0.122538D+02 -0.131732D+02  0.293395D+02 -0.196712D+02
      2  -0.146620D+01  0.293547D+02  0.629810D+01 -0.104323D+02  0.433975D+01
      3   0.115319D+02 -0.171009D+02  0.687508D+01 -0.189073D+02  0.153315D+02
      4   0.150463D+02 -0.380065D+02  0.148501D+02 -0.334870D+02  0.320631D+02
      5  -0.168997D+02  0.165090D+02  0.433524D+01 -0.119144D+02  0.674536D+01
      6   0.642141D+01 -0.259076D+01  0.389330D+01  0.746436D+01  0.133894D+01
               126           127           128           129           130 
      1  -0.121767D+02  0.184299D+01 -0.367409D+01  0.186129D+01 -0.412134D+00
      2   0.570848D+01  0.470035D+00  0.520183D+01 -0.762010D+00  0.962221D+00
      3   0.646825D+01 -0.231302D+01 -0.152774D+01 -0.109928D+01 -0.550087D+00
      4   0.898921D+01  0.107126D+02  0.943588D+01 -0.692306D+01  0.846963D+01
      5   0.256098D+02 -0.124370D+02 -0.789808D+01  0.101448D+02 -0.100859D+02
      6  -0.101131D+02 -0.847098D+01 -0.760087D+01  0.777417D+01 -0.804361D+01
               131           132           133           134           135 
      1  -0.792169D+01  0.770244D+01  0.429980D+01  0.105321D+02 -0.125430D+02
      2   0.722351D+01 -0.254921D+01 -0.103647D+01 -0.689978D+01  0.205389D+01
      3   0.698179D+00 -0.515323D+01 -0.326333D+01 -0.363229D+01  0.104891D+02
      4   0.100786D+02 -0.715459D+01 -0.758448D+01 -0.774727D+01  0.799063D+01
      5  -0.861698D+01  0.102714D+02  0.108124D+02  0.914233D+01 -0.140748D+02
      6  -0.115741D+02  0.114536D+02  0.896074D+01  0.136476D+02 -0.153381D+02
               136           137           138           139           140 
      1  -0.279316D+01  0.186687D+01 -0.598025D+01  0.345983D+01 -0.726159D+01
      2  -0.337736D+01  0.383506D+00 -0.405393D+01  0.304372D+00  0.183750D+01
      3   0.617052D+01 -0.225038D+01  0.100342D+02 -0.376420D+01  0.542409D+01
      4  -0.473980D+01  0.389805D+01 -0.523990D+01  0.299391D+01 -0.325620D+01
      5   0.880856D+01 -0.365992D+01  0.112073D+02 -0.378967D+01  0.300536D+01
      6  -0.487177D+01  0.337127D+01 -0.518686D+01  0.356497D+01 -0.777322D+01
               141           142           143           144           145 
      1   0.125648D+02 -0.733621D+01  0.121046D+02 -0.269573D+02  0.271100D+01
      2   0.107136D+01 -0.215471D+01 -0.225790D+01 -0.597759D+01 -0.166241D+01
      3  -0.136361D+02  0.949092D+01 -0.984668D+01  0.329349D+02 -0.104860D+01
      4   0.408132D+01 -0.612824D+01  0.658681D+01 -0.946016D+01  0.507092D+01
      5  -0.457837D+01  0.104280D+02 -0.579746D+01  0.155609D+02 -0.900136D+01
      6   0.107941D+02 -0.773938D+01  0.130847D+02 -0.206860D+02 -0.366777D+01
               146           147           148           149           150 
      1  -0.160643D+01  0.131138D+01 -0.171332D+01 -0.517363D+01  0.593468D+01
      2   0.181880D+01  0.936902D+00  0.201601D+00  0.343836D+01 -0.229411D+00
      3  -0.212371D+00 -0.224829D+01  0.151171D+01  0.173527D+01 -0.570527D+01
      4   0.509313D+01 -0.289707D+01  0.474292D+01  0.545932D+01 -0.325980D+01
      5  -0.400204D+01  0.732803D+01 -0.657104D+01 -0.555645D+01  0.752748D+01
      6  -0.329598D+01  0.377426D+01 -0.407539D+01 -0.646412D+01  0.649878D+01
               151           152           153           154           155 
      1   0.295079D+01  0.656471D+01 -0.991219D+01 -0.804492D+00  0.204580D+00
      2   0.996023D+00 -0.293809D+01 -0.122169D+01 -0.420018D+01  0.130649D+01
      3  -0.394682D+01 -0.362662D+01  0.111339D+02  0.500467D+01 -0.151107D+01
      4  -0.436436D+01 -0.419541D+01  0.382049D+01 -0.334114D+01  0.285243D+01
      5   0.913642D+01  0.563763D+01 -0.113719D+02  0.743885D+01 -0.284708D+01
      6   0.525434D+01  0.786785D+01 -0.939975D+01 -0.194564D+01  0.201196D+01
               156           157           158           159           160 
      1  -0.391306D+01  0.269750D+01 -0.538258D+01  0.101000D+02 -0.284510D+01
      2  -0.498241D+01  0.146748D+00  0.577409D+00  0.233340D+01 -0.512467D+01
      3   0.889547D+01 -0.284425D+01  0.480517D+01 -0.124334D+02  0.796977D+01
      4  -0.323675D+01  0.232919D+01 -0.242443D+01  0.326332D+01 -0.481242D+01
      5   0.100046D+02 -0.292916D+01  0.285521D+01 -0.383843D+01  0.102638D+02
      6  -0.145323D+01  0.240709D+01 -0.480162D+01  0.601837D+01 -0.383014D+01
               161           162           163           164           165 
      1   0.717371D+01 -0.220573D+02  0.144473D+02  0.670524D+01 -0.203801D+01
      2   0.449339D+00 -0.100293D+02 -0.121620D+01  0.390507D+00  0.768992D+00
      3  -0.762305D+01  0.320866D+02 -0.132311D+02 -0.709575D+01  0.126902D+01
      4   0.502000D+01 -0.694421D+01  0.140827D+02  0.180770D+02  0.184448D+01
      5  -0.456520D+01  0.156470D+02 -0.149027D+01  0.229770D+01  0.366141D+01
      6   0.801057D+01 -0.111893D+02  0.791586D+00  0.163617D+01  0.839153D+00
               166           167           168           169           170 
      1   0.129334D+02 -0.104181D+02 -0.148749D+00 -0.153594D+02  0.614642D+00
      2   0.358797D+01  0.320664D+02  0.411992D+00  0.468405D+01 -0.330379D+01
      3  -0.165214D+02 -0.216482D+02 -0.263243D+00  0.106754D+02  0.268914D+01
      4   0.288059D+02  0.554424D+02  0.295716D+01 -0.342878D+01 -0.793415D+01
      5   0.343021D+01  0.179184D+01  0.529709D+01  0.517517D+01  0.552628D+01
      6   0.308137D+01  0.692006D+01  0.544897D+01  0.181854D+01  0.518128D+01
               171           172           173           174           175 
      1  -0.154616D+01  0.715871D+01 -0.219452D+01  0.567143D+01 -0.107532D+02
      2   0.103283D+01 -0.779989D+01  0.128293D+01 -0.552071D+01  0.660633D+01
      3   0.513326D+00  0.641177D+00  0.911596D+00 -0.150725D+00  0.414689D+01
      4   0.562327D+01 -0.120283D+01  0.472090D+01  0.242222D+01  0.479965D+01
      5   0.147712D+01  0.107704D+02  0.170195D+01  0.139382D+02 -0.229212D+01
      6   0.280688D-02  0.944792D+00  0.125404D+01  0.150025D+01  0.920367D+00
               176           177           178           179           180 
      1  -0.527883D+00 -0.353000D+00  0.113419D+02 -0.220232D+01 -0.117118D+02
      2   0.699168D+00  0.235957D+01 -0.118086D+02  0.655812D+00 -0.152337D+02
      3  -0.171284D+00 -0.200657D+01  0.466703D+00  0.154651D+01  0.269455D+02
      4   0.217195D+01  0.431724D+01  0.336601D+01  0.688189D+01  0.491757D+01
      5   0.444475D+01 -0.643611D+01  0.187300D+02  0.472918D+01  0.445457D+02
      6   0.295199D+00  0.377679D+01  0.350248D+01  0.574948D+01  0.106636D+02
               181           182           183           184           185 
      1  -0.296505D+01  0.673064D+01 -0.909028D+01  0.134046D+02 -0.784964D+01
      2  -0.190969D+01 -0.264012D+01  0.275584D+01 -0.659157D+01  0.371886D+01
      3   0.487475D+01 -0.409052D+01  0.633444D+01 -0.681308D+01  0.413078D+01
      4   0.712525D+01 -0.165277D+01 -0.633153D+00 -0.129458D+00 -0.843839D+00
      5  -0.658639D+01 -0.629462D+00 -0.832624D+00  0.592874D+00 -0.642801D+01
      6  -0.178787D+00  0.372420D-01 -0.157088D+00  0.465892D+00 -0.198269D+01
               186           187           188           189           190 
      1   0.180865D+01 -0.175442D+02  0.283432D-01 -0.201842D+02  0.129114D+02
      2   0.263662D+00  0.833391D+01  0.243940D+01 -0.881233D+01 -0.373167D+01
      3  -0.207231D+01  0.921028D+01 -0.246774D+01  0.289965D+02 -0.917974D+01
      4  -0.612627D+01 -0.890818D+00 -0.881820D+01  0.668783D+01  0.148265D+02
      5   0.680129D+01  0.132680D+01  0.662910D+01 -0.535171D+02 -0.562377D+01
      6   0.677179D+01 -0.169178D+00  0.369710D+01 -0.175273D+01 -0.124949D+01
               191           192           193           194           195 
      1   0.133983D+02 -0.536867D+01  0.342856D+02  0.205499D+02 -0.121770D+01
      2  -0.438099D+01  0.240472D+01 -0.117452D+02  0.698908D+01 -0.733773D+00
      3  -0.901731D+01  0.296395D+01 -0.225404D+02 -0.275390D+02  0.195148D+01
      4   0.197790D+02 -0.235165D+01  0.425518D+02  0.880238D+02 -0.127619D+02
      5  -0.237025D+01  0.635418D+01 -0.514410D+01 -0.142531D+02  0.140195D+02
      6  -0.565490D+00  0.562505D+00 -0.232757D+01 -0.455303D+01  0.596828D+01
               196           197           198           199           200 
      1  -0.123134D+02 -0.190205D+01  0.742174D+01  0.205797D+02 -0.414557D+01
      2   0.556373D+01 -0.756980D+00 -0.400392D+01 -0.134504D+02  0.257833D+01
      3   0.674963D+01  0.265903D+01 -0.341782D+01 -0.712933D+01  0.156724D+01
      4  -0.631458D+01 -0.164628D+02  0.983967D+01 -0.358703D+01  0.583585D+01
      5   0.133933D+02  0.106465D+02 -0.296243D+01  0.160623D+02  0.166786D+00
      6   0.214820D+01  0.596017D+01 -0.256056D+01  0.432947D+00  0.151099D-01
               201           202           203           204           205 
      1   0.147737D+02 -0.124977D+02  0.620314D+01 -0.136233D+01  0.414974D+02
      2  -0.927824D+01  0.744499D+01 -0.267803D+01  0.150982D+01 -0.263473D+02
      3  -0.549548D+01  0.505273D+01 -0.352511D+01 -0.147489D+00 -0.151501D+02
      4   0.391193D+00  0.111197D+02  0.250338D+01  0.684089D+01  0.243628D+01
      5   0.215977D+02 -0.341050D+01  0.639053D+01 -0.879723D+01  0.428950D+02
      6   0.105270D+01  0.142767D+01 -0.111573D+01  0.379450D+01  0.105109D+01
               206           207           208           209           210 
      1   0.246926D+01  0.253777D+02  0.922023D+02 -0.251596D+02 -0.290483D+02
      2  -0.872379D+00 -0.261322D+02 -0.482711D+02  0.130722D+02  0.160840D+02
      3  -0.159688D+01  0.754498D+00 -0.439312D+02  0.120874D+02  0.129643D+02
      4   0.134816D+02 -0.332045D+01 -0.256675D+02  0.205613D+02  0.940667D+01
      5  -0.244839D+01  0.756884D+02 -0.330354D+02  0.101317D+02  0.254617D+02
      6   0.429499D+01  0.319684D+01  0.147187D+01 -0.761371D+00 -0.226053D+00
               211           212           213           214           215 
      1  -0.571936D+02  0.221580D+02  0.136532D+02 -0.552929D+02  0.108813D+02
      2   0.293080D+02 -0.871557D+01 -0.778553D+01  0.304838D+02 -0.657932D+01
      3   0.278856D+02 -0.134424D+02 -0.586767D+01  0.248091D+02 -0.430196D+01
      4   0.295589D+02 -0.179428D+02 -0.134869D+02  0.130452D+02 -0.173382D+02
      5   0.178582D+02 -0.139098D+02 -0.175569D+02  0.371347D+02 -0.121378D+02
      6  -0.246546D+01  0.216969D+01  0.248023D+01 -0.160296D+01  0.289771D+01
               216           217           218           219           220 
      1   0.270861D+02  0.318612D+02 -0.173936D+02 -0.119547D+02 -0.158584D+02
      2  -0.184300D+02 -0.779526D+01 -0.158410D+01  0.375479D+01 -0.163198D+01
      3  -0.865608D+01 -0.240660D+02  0.189777D+02  0.819993D+01  0.174904D+02
      4  -0.115918D+02 -0.384290D+02  0.375136D+02  0.146484D+02  0.342007D+02
      5  -0.228579D+02 -0.180033D+02  0.117223D+02  0.156609D+02  0.109311D+02
      6   0.221716D+01  0.890506D+01 -0.708689D+01 -0.848241D+01 -0.718653D+01
               221           222           223           224           225 
      1   0.922630D+01  0.308293D+01 -0.192824D+02  0.524088D+01  0.721973D+01
      2   0.107256D+02  0.362998D+01  0.639806D+01  0.491775D+01 -0.255911D+01
      3  -0.199519D+02 -0.671291D+01  0.128843D+02 -0.101586D+02 -0.466062D+01
      4  -0.401848D+02 -0.164508D+02  0.231082D+02 -0.278399D+02 -0.202551D+02
      5  -0.152603D+02 -0.127097D+02  0.193974D+02 -0.178327D+02 -0.161774D+02
      6   0.107500D+02  0.948942D+01 -0.981919D+01  0.117362D+02  0.936217D+01
               226           227           228           229           230 
      1   0.284499D+01 -0.532694D+01  0.613965D+01 -0.311806D+01 -0.131698D+01
      2  -0.113957D+01  0.111917D+01 -0.395692D+01 -0.148291D+00  0.309556D+01
      3  -0.170542D+01  0.420777D+01 -0.218273D+01  0.326635D+01 -0.177858D+01
      4  -0.848664D+01  0.944429D+01 -0.436886D+01  0.775929D+01 -0.918144D+01
      5   0.811622D+01 -0.289624D+01  0.118624D+02 -0.143786D+01  0.764262D+01
      6  -0.275861D+01  0.134470D+01 -0.426614D+01  0.180574D+01 -0.529247D+01
               231           232           233           234           235 
      1   0.330474D+01  0.120286D+02  0.559709D+01 -0.410863D+01 -0.549999D+02
      2  -0.386516D+01 -0.676558D+01 -0.689922D+01 -0.486176D+01  0.312986D+02
      3   0.560422D+00 -0.526298D+01  0.130213D+01  0.897039D+01  0.237013D+02
      4   0.792356D+01 -0.102362D+02  0.198965D+02 -0.210929D+02  0.874858D+01
      5  -0.842231D+01  0.160630D+02 -0.184663D+02  0.485536D+02 -0.508555D+01
      6   0.100159D+02 -0.691368D+01  0.136753D+02 -0.257478D+02  0.450808D+01
               236           237           238           239           240 
      1  -0.201995D+02 -0.972023D+01 -0.143522D+02 -0.140255D+02 -0.317019D+01
      2   0.179842D+02  0.533347D+01  0.123672D+02  0.129975D+02  0.308429D+01
      3   0.221524D+01  0.438675D+01  0.198504D+01  0.102805D+01  0.858949D-01
      4  -0.788926D+01  0.187690D+01  0.998721D+00 -0.205771D+01 -0.152572D+01
      5  -0.731799D+00 -0.262601D+01 -0.806726D+00 -0.229572D+01 -0.294350D+01
      6   0.230638D+01  0.405748D+01  0.139951D+01  0.212467D+01  0.364409D+01
               241           242           243           244           245 
      1  -0.982283D+01 -0.464301D+01 -0.679829D+01  0.174727D+01 -0.563126D+01
      2   0.470174D+01  0.424150D+01  0.330649D+01 -0.567533D+01  0.404786D+01
      3   0.512110D+01  0.401506D+00  0.349181D+01  0.392806D+01  0.158340D+01
      4   0.187480D+01 -0.422647D+01 -0.429003D+01 -0.693946D+01  0.529866D+01
      5   0.814576D+00 -0.518064D+01  0.111312D+01  0.109053D+02 -0.296503D+01
      6   0.220958D+01  0.474585D+01  0.650815D+00 -0.356813D+01  0.127455D+01
               246           247           248           249           250 
      1   0.485562D+01 -0.833166D+01 -0.107600D+01  0.349639D+01  0.563377D+01
      2  -0.514615D+01  0.575636D+01 -0.155894D+01  0.331171D+01 -0.786855D+01
      3   0.290530D+00  0.257530D+01  0.263493D+01 -0.680810D+01  0.223478D+01
      4  -0.250653D+01  0.830975D+01 -0.911764D+01  0.951493D+01 -0.307451D+01
      5   0.118647D+02 -0.442965D+01  0.998283D+01 -0.135787D+02  0.174212D+02
      6  -0.100042D+01  0.297111D+01 -0.576613D+01  0.758572D+01 -0.186887D+01
               251           252           253           254           255 
      1   0.141413D+01 -0.547063D+01 -0.406207D+02 -0.329579D+02 -0.330607D+02
      2   0.504343D+01 -0.147971D+02  0.211066D+02  0.190321D+02  0.122031D+02
      3  -0.645756D+01  0.202677D+02  0.195141D+02  0.139258D+02  0.208576D+02
      4   0.117282D+02 -0.106433D+02 -0.422615D+02 -0.480569D+01 -0.112436D+02
      5  -0.105030D+02  0.347490D+02 -0.388069D+02 -0.721420D+01  0.184210D+01
      6   0.683030D+01 -0.629700D+01 -0.194295D+02  0.273957D+01  0.935464D+01
               256           257           258           259           260 
      1  -0.190788D+02 -0.177165D+01 -0.111603D+01 -0.314737D+02 -0.138342D+00
      2   0.192171D+02  0.123756D+02  0.142172D+02  0.123233D+02  0.129446D+02
      3  -0.138305D+00 -0.106040D+02 -0.131012D+02  0.191504D+02 -0.128063D+02
      4   0.127898D+02  0.264144D+02  0.147871D+02 -0.798992D+01  0.103435D+02
      5   0.172414D+00  0.155895D+02 -0.106504D+02  0.512286D+01 -0.160591D+02
      6   0.916520D+01  0.134313D+02 -0.644652D+01  0.796880D+01 -0.131411D+02
               261           262           263           264           265 
      1   0.225878D+02  0.318281D+02 -0.183797D+02 -0.144950D+02 -0.104328D+02
      2  -0.202312D+02 -0.131302D+02  0.586295D+01  0.650310D+01  0.116113D+01
      3  -0.235664D+01 -0.186979D+02  0.125167D+02  0.799188D+01  0.927168D+01
      4  -0.966242D+01 -0.306296D+02  0.252633D+02  0.142965D+02  0.202232D+02
      5   0.700350D+01 -0.196808D+02  0.127042D+02  0.158460D+02  0.894454D+01
      6  -0.361826D+01  0.827010D+01 -0.593824D+01 -0.560492D+01 -0.478062D+01
               266           267           268           269           270 
      1   0.726079D+01  0.351055D+01 -0.243646D+02  0.137943D+02  0.138825D+02
      2   0.287291D+01  0.445483D+00  0.115591D+02 -0.393375D+01 -0.804546D+01
      3  -0.101337D+02 -0.395603D+01  0.128056D+02 -0.986050D+01 -0.583704D+01
      4  -0.263485D+02 -0.112491D+02  0.297193D+02 -0.303943D+02 -0.237763D+02
      5  -0.102115D+02 -0.976078D+01  0.275916D+02 -0.216902D+02 -0.273977D+02
      6   0.706852D+01  0.567608D+01 -0.115257D+02  0.117325D+02  0.126150D+02
               271           272           273           274           275 
      1  -0.124764D+02  0.174911D+02  0.200380D+02  0.825801D+01 -0.151406D+02
      2   0.497406D+01 -0.124757D+02 -0.666971D+01 -0.602214D+01  0.117828D+02
      3   0.750238D+01 -0.501537D+01 -0.133682D+02 -0.223588D+01  0.335785D+01
      4  -0.114496D+01 -0.364397D+01  0.846592D+00  0.166715D+01  0.324337D+01
      5   0.311764D+01 -0.280336D+01 -0.513335D+01  0.143459D+00  0.321196D+01
      6   0.842202D+01 -0.105313D+02 -0.129668D+02 -0.461851D+01  0.110414D+02
               276           277           278           279           280 
      1  -0.111827D+02  0.166001D+02 -0.167125D+02 -0.274268D+02  0.162852D+01
      2   0.640225D+01 -0.604047D+01  0.878752D+01  0.595463D+01  0.119507D+01
      3   0.478044D+01 -0.105596D+02  0.792502D+01  0.214722D+02 -0.282359D+01
      4   0.262779D+01  0.573375D+01  0.740407D+01  0.600086D+01  0.465294D+01
      5   0.602431D+01  0.136623D+01  0.106664D+02  0.153636D+02 -0.835800D-01
      6   0.124765D+02 -0.582352D+01  0.175958D+02  0.222840D+02 -0.985230D+00
               281           282           283           284           285 
      1   0.830837D+01 -0.726478D+00  0.629014D+01 -0.113574D+02  0.456206D+01
      2  -0.707017D+01  0.157182D+01 -0.316356D+01  0.213460D+02 -0.119195D+02
      3  -0.123820D+01 -0.845346D+00 -0.312658D+01 -0.998858D+01  0.735742D+01
      4   0.951677D+00 -0.267932D+00  0.534331D+01  0.146009D+02 -0.808006D+01
      5   0.154652D+01 -0.891060D+00  0.584776D+00 -0.993396D+01  0.103695D+02
      6   0.245616D-01 -0.271123D+01 -0.370807D+00 -0.680189D+01  0.927524D+01
               286           287           288           289           290 
      1  -0.598652D+01  0.904202D+01 -0.845374D+01  0.763860D+02  0.186187D+02
      2   0.223040D+01 -0.194750D+02  0.123600D+02 -0.350310D+02 -0.207488D+01
      3   0.375612D+01  0.104330D+02 -0.390628D+01 -0.413549D+02 -0.165439D+02
      4  -0.681736D+01 -0.184784D+02  0.701769D+01  0.562495D+02  0.315172D+02
      5  -0.109919D+01  0.957384D+01 -0.177415D+02  0.421675D+02  0.148657D+02
      6  -0.200071D+01  0.784701D+01 -0.128416D+02  0.165659D+02  0.997804D+01
               291           292           293           294           295 
      1   0.171769D+02  0.938313D+01  0.786372D+01  0.164453D+01  0.152953D+02
      2  -0.106034D+02  0.698368D+00  0.529227D+00 -0.549974D+00 -0.101626D+02
      3  -0.657347D+01 -0.100815D+02 -0.839295D+01 -0.109456D+01 -0.513270D+01
      4   0.161485D+02  0.211174D+02  0.138276D+02  0.501844D+01  0.141242D+02
      5   0.219176D+02  0.716070D+01  0.603176D+01  0.514631D+01  0.213976D+02
      6   0.942292D+01  0.603807D+01  0.420332D+01  0.516982D+01  0.813516D+01
               296           297 
      1   0.257837D+01  0.657441D+01
      2  -0.161625D+01 -0.490512D+01
      3  -0.962116D+00 -0.166929D+01
      4   0.764971D+01  0.105194D+02
      5   0.957377D+01  0.138583D+02
      6   0.719110D+01  0.682460D+01
 Leave Link  716 at Mon Sep 27 12:26:53 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.221160D+03  0.996501D+01  0.344458D+01
      2   0.996501D+01  0.143207D+03 -0.958163D+01
      3   0.344458D+01 -0.958163D+01  0.146295D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.366577D+01  0.458836D+01 -0.449092D+01
      2  -0.355094D+02 -0.252011D+01 -0.482589D+02
      3  -0.851652D+01  0.467003D+02 -0.342034D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.275102D+03 -0.270545D+02 -0.580460D+02
      2   0.132488D+03  0.318975D+02  0.351327D+02
      3   0.142614D+03 -0.484296D+01  0.229132D+02
      4   0.149633D+02 -0.913886D+02  0.686092D+01
      5  -0.836579D+01  0.822729D+01 -0.878387D+02
      6   0.129210D+02  0.366465D+02  0.192381D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.882588D+01  0.159042D+01  0.153579D+01 -0.284179D+01 -0.316426D+00
      2   0.159042D+01 -0.112056D+01  0.756448D+00 -0.316426D+00 -0.421981D+01
      3   0.153579D+01  0.756448D+00 -0.372219D+01 -0.215184D+01  0.871247D+00
                 6             7             8             9            10 
      1  -0.215184D+01  0.135371D+02  0.372443D+00  0.111818D+01 -0.294832D+02
      2   0.871247D+00  0.372443D+00 -0.129356D+01  0.143718D+01 -0.159162D+01
      3   0.715889D+00  0.111818D+01  0.143718D+01  0.140596D+01 -0.254876D+01
                11            12            13            14            15 
      1  -0.159162D+01 -0.254876D+01 -0.319733D+01 -0.409910D+01 -0.215961D+01
      2  -0.189423D+01  0.688962D+00 -0.409910D+01 -0.223679D+01 -0.622091D+00
      3   0.688962D+00 -0.274458D+01 -0.215961D+01 -0.622091D+00 -0.172353D+01
                16            17            18            19            20 
      1  -0.579201D+01 -0.227184D+01 -0.187897D+01 -0.115657D+02 -0.245001D+01
      2  -0.227184D+01 -0.699653D+00 -0.814427D+00 -0.245001D+01  0.280140D+01
      3  -0.187897D+01 -0.814427D+00 -0.106835D+01 -0.172502D+01 -0.181219D+01
                21            22            23            24            25 
      1  -0.172502D+01 -0.105401D+02  0.225629D-01 -0.443880D+00  0.752622D+01
      2  -0.181219D+01  0.225629D-01 -0.252728D+01  0.115117D+01  0.222268D+01
      3   0.100192D+01 -0.443880D+00  0.115117D+01  0.271545D+01 -0.162213D+00
                26            27            28            29            30 
      1   0.222268D+01 -0.162213D+00  0.262681D+02  0.328181D+01  0.293860D+01
      2   0.817463D+00  0.150895D+01  0.328181D+01  0.223433D+01 -0.323745D-01
      3   0.150895D+01  0.316067D+01  0.293860D+01 -0.323745D-01  0.269772D+01
                31            32            33            34            35 
      1   0.278605D+01  0.396403D+01  0.243273D+01  0.292591D+01  0.268579D+01
      2   0.396403D+01  0.172158D+01  0.138852D+01  0.268579D+01  0.177603D+01
      3   0.243273D+01  0.138852D+01  0.127682D+01  0.238180D+01 -0.518207D+00
                36            37            38            39            40 
      1   0.238180D+01 -0.773567D+01 -0.153776D+01 -0.196077D+01  0.388320D+01
      2  -0.518207D+00 -0.153776D+01  0.465629D+00 -0.617097D-01  0.105362D+01
      3   0.863064D+00 -0.196077D+01 -0.617097D-01  0.339988D+01  0.173115D+01
                41            42            43            44            45 
      1   0.105362D+01  0.173115D+01 -0.133199D+02 -0.140549D+01 -0.104590D+01
      2   0.391033D+01 -0.109930D+01 -0.140549D+01 -0.159107D+00 -0.732613D+00
      3  -0.109930D+01 -0.760285D+00 -0.104590D+01 -0.732613D+00 -0.181970D+01
                46            47            48            49            50 
      1   0.105183D+02  0.209490D+01  0.163329D+01  0.103936D+02 -0.563257D+00
      2   0.209490D+01 -0.167421D+01  0.850961D+00 -0.563257D+00  0.229684D+01
      3   0.163329D+01  0.850961D+00 -0.346408D+00  0.128387D+01 -0.169281D+01
                51            52            53            54            55 
      1   0.128387D+01 -0.730789D+01 -0.151679D+01  0.138980D+00  0.171246D+02
      2  -0.169281D+01 -0.151679D+01 -0.879938D+00 -0.130379D+01 -0.129396D+01
      3  -0.240751D+01  0.138980D+00 -0.130379D+01 -0.299969D+01 -0.140470D+00
                56            57            58            59            60 
      1  -0.129396D+01 -0.140470D+00 -0.445936D+01  0.500091D+01  0.947421D+00
      2   0.230000D+01  0.429818D+00  0.500091D+01  0.553756D+01 -0.333946D+00
      3   0.429818D+00  0.113944D+01  0.947421D+00 -0.333946D+00 -0.108161D+01
                61            62            63            64            65 
      1  -0.618834D+01  0.117840D+01  0.249045D+01 -0.279939D+01  0.441800D+01
      2   0.117840D+01 -0.174086D+01 -0.389342D+00  0.441800D+01 -0.201936D+01
      3   0.249045D+01 -0.389342D+00  0.567450D+01  0.128903D+01 -0.487724D+00
                66            67            68            69            70 
      1   0.128903D+01  0.114537D+02 -0.319871D+01 -0.456424D+00  0.843371D+01
      2  -0.487724D+00 -0.319871D+01 -0.486387D+01  0.655750D+00 -0.678942D+00
      3  -0.220715D+01 -0.456424D+00  0.655750D+00  0.177608D+01 -0.314250D+01
                71            72            73            74            75 
      1  -0.678942D+00 -0.314250D+01 -0.352740D+01 -0.377121D+01 -0.218944D+01
      2   0.157338D+01  0.176244D+01 -0.377121D+01  0.178296D+01  0.711967D+00
      3   0.176244D+01 -0.720277D+01 -0.218944D+01  0.711967D+00  0.270124D+01
                76            77            78            79            80 
      1  -0.582137D+01  0.336812D+01  0.901059D+00 -0.407524D+01  0.851978D+00
      2   0.336812D+01  0.571833D+01 -0.212261D+01  0.851978D+00 -0.234491D+01
      3   0.901059D+00 -0.212261D+01 -0.166528D+01  0.426952D+01 -0.127550D+01
                81            82            83            84            85 
      1   0.426952D+01 -0.357141D+01 -0.418461D+01 -0.277130D+01 -0.514599D+01
      2  -0.127550D+01 -0.418461D+01  0.209241D+01  0.888100D+00  0.214250D+01
      3   0.495536D+01 -0.277130D+01  0.888100D+00  0.182354D+01  0.824819D+00
                86            87            88            89            90 
      1   0.214250D+01  0.824819D+00 -0.400978D+01  0.977755D+00  0.267541D+01
      2   0.295976D+01 -0.139155D+01  0.977755D+00 -0.230258D+01 -0.309468D+01
      3  -0.139155D+01 -0.220400D+01  0.267541D+01 -0.309468D+01  0.473621D+01
                91            92            93            94            95 
      1  -0.368312D+01  0.748217D+00 -0.192740D+00  0.438296D+00 -0.493341D+01
      2   0.748217D+00 -0.221056D+01 -0.785548D+00 -0.493341D+01 -0.386116D+01
      3  -0.192740D+00 -0.785548D+00 -0.146965D+01 -0.247984D+01 -0.255998D+01
                96            97            98            99           100 
      1  -0.247984D+01  0.433092D+01 -0.195901D+01 -0.288990D+01 -0.211825D+01
      2  -0.255998D+01 -0.195901D+01 -0.961427D+00  0.279228D+01 -0.177040D+01
      3   0.169072D+01 -0.288990D+01  0.279228D+01 -0.171993D+01  0.109716D+01
               101           102           103           104           105 
      1  -0.177040D+01  0.109716D+01 -0.369304D+01  0.402323D+00  0.311083D+01
      2   0.191828D-01  0.125828D+01  0.402323D+00  0.367227D+00  0.177585D+00
      3   0.125828D+01  0.517777D+00  0.311083D+01  0.177585D+00 -0.373880D+01
               106           107           108           109           110 
      1   0.214353D+01  0.189308D+01 -0.775031D+00  0.536886D+01  0.228558D+01
      2   0.189308D+01  0.263832D+00 -0.265709D+01  0.228558D+01  0.137526D+01
      3  -0.775031D+00 -0.265709D+01  0.168103D+01 -0.333647D+01 -0.920276D+00
               111           112           113           114           115 
      1  -0.333647D+01  0.553422D+01  0.186978D+01 -0.202924D+01 -0.780446D+01
      2  -0.920276D+00  0.186978D+01  0.411773D+01 -0.189990D+01 -0.111240D+01
      3   0.149827D+01 -0.202924D+01 -0.189990D+01  0.295071D+01  0.380134D+01
               116           117           118           119           120 
      1  -0.111240D+01  0.380134D+01 -0.879244D+00  0.600295D-01  0.216561D+01
      2  -0.276917D+01  0.232978D+01  0.600295D-01 -0.141240D+01 -0.159465D+01
      3   0.232978D+01 -0.682698D+01  0.216561D+01 -0.159465D+01 -0.159440D+01
               121           122           123           124           125 
      1  -0.253392D+01  0.442052D+00 -0.162016D+01  0.459536D+01 -0.310878D+01
      2   0.442052D+00 -0.434171D+01  0.143792D+01 -0.310878D+01  0.362201D+01
      3  -0.162016D+01  0.143792D+01  0.986409D+00 -0.163017D+01  0.743777D+00
               126           127           128           129           130 
      1  -0.163017D+01 -0.334355D+01 -0.189947D+01  0.180608D+01 -0.224510D+01
      2   0.743777D+00 -0.189947D+01 -0.179694D+01  0.140273D+01 -0.163523D+01
      3   0.304865D+01  0.180608D+01  0.140273D+01 -0.145391D+01  0.181788D+01
               131           132           133           134           135 
      1  -0.163523D+01  0.181788D+01  0.215219D+01  0.157693D+01 -0.195267D+01
      2  -0.217132D+01  0.185568D+01  0.157693D+01  0.250570D+01 -0.239302D+01
      3   0.185568D+01 -0.243579D+01 -0.195267D+01 -0.239302D+01  0.333001D+01
               136           137           138           139           140 
      1   0.192364D+01 -0.600185D+00  0.204082D+01 -0.643108D+00  0.347037D+00
      2  -0.600185D+00  0.394878D+00 -0.657804D+00  0.347037D+00 -0.112523D+01
      3   0.204082D+01 -0.657804D+00  0.233078D+01 -0.880727D+00  0.133731D+01
               141           142           143           144           145 
      1  -0.880727D+00  0.199918D+01 -0.119564D+01  0.256712D+01  0.325725D+01
      2   0.133731D+01 -0.119564D+01  0.189177D+01 -0.273108D+01  0.147049D+01
      3  -0.311173D+01  0.256712D+01 -0.273108D+01  0.649915D+01 -0.147381D+01
               146           147           148           149           150 
      1   0.147049D+01 -0.147381D+01  0.186040D+01  0.118415D+01 -0.145674D+01
      2   0.123649D+01 -0.852140D+00  0.118415D+01  0.139495D+01 -0.130396D+01
      3  -0.852140D+00  0.127137D+01 -0.145674D+01 -0.130396D+01  0.200555D+01
               151           152           153           154           155 
      1  -0.207108D+01 -0.131520D+01  0.180529D+01 -0.173465D+01  0.577071D+00
      2  -0.131520D+01 -0.191818D+01  0.182406D+01  0.577071D+00 -0.254416D+00
      3   0.180529D+01  0.182406D+01 -0.318320D+01 -0.184566D+01  0.466789D+00
               156           157           158           159           160 
      1  -0.184566D+01  0.339120D+00 -0.266031D+00  0.656460D+00 -0.229979D+01
      2   0.466789D+00 -0.266031D+00  0.779483D+00 -0.106350D+01  0.105327D+01
      3  -0.215407D+01  0.656460D+00 -0.106350D+01  0.277056D+01 -0.251204D+01
               161           162           163           164           165 
      1   0.105327D+01 -0.251204D+01 -0.315661D+01 -0.161161D+01  0.195541D+00
      2  -0.147984D+01  0.219493D+01 -0.161161D+01 -0.167678D+01 -0.256573D+00
      3   0.219493D+01 -0.645199D+01  0.195541D+00 -0.256573D+00 -0.226467D+00
               166           167           168           169           170 
      1  -0.436347D+01 -0.314771D+01 -0.450049D+00  0.373757D+01  0.323398D+00
      2  -0.314771D+01 -0.818475D+01 -0.412869D+00  0.323398D+00  0.106975D+01
      3  -0.450049D+00 -0.412869D+00 -0.740460D+00 -0.507983D+00 -0.830321D+00
               171           172           173           174           175 
      1  -0.507983D+00 -0.111733D+01  0.297571D+00 -0.124093D+01  0.231386D+01
      2  -0.830321D+00  0.297571D+00 -0.463995D+00 -0.194316D+00 -0.700713D+00
      3  -0.256403D+00 -0.124093D+01 -0.194316D+00 -0.122888D+01  0.293163D+00
               176           177           178           179           180 
      1  -0.700713D+00  0.293163D+00 -0.303004D+01 -0.191719D+00 -0.207867D+01
      2  -0.327712D+00 -0.707470D+00 -0.191719D+00 -0.991307D+00 -0.736242D+00
      3  -0.707470D+00  0.841967D+00 -0.207867D+01 -0.736242D+00 -0.679749D+01
               181           182           183           184           185 
      1   0.943578D+00 -0.995105D+00  0.103989D+01 -0.192711D+01  0.322905D+00
      2  -0.995105D+00  0.394069D+00  0.488860D-01  0.322905D+00  0.500470D-01
      3   0.103989D+01  0.488860D-01  0.727279D+00 -0.992698D-01  0.869249D+00
               186           187           188           189           190 
      1  -0.992698D-01  0.190156D+01 -0.282541D-02  0.369092D+00 -0.940876D+00
      2   0.869249D+00 -0.282541D-02  0.123636D+01 -0.811622D+00 -0.120026D+01
      3  -0.856086D+00  0.369092D+00 -0.811622D+00  0.702197D+01  0.457407D+00
               191           192           193           194           195 
      1  -0.120026D+01  0.457407D+00 -0.337156D+01 -0.336093D+01  0.354524D+00
      2  -0.131231D+01  0.160934D+00 -0.336093D+01 -0.801155D+01  0.113007D+01
      3   0.160934D+00 -0.455252D+00  0.354524D+00  0.113007D+01 -0.115345D+01
               196           197           198           199           200 
      1   0.116674D+01  0.492003D+00 -0.105546D+01 -0.159816D+01  0.334260D+00
      2   0.492003D+00  0.151654D+01 -0.948626D+00  0.334260D+00 -0.403940D+00
      3  -0.105546D+01 -0.948626D+00  0.257893D+00 -0.122198D+01 -0.222413D-01
               201           202           203           204           205 
      1  -0.122198D+01  0.112423D+01 -0.869034D+00  0.272836D+00 -0.391074D+01
      2  -0.222413D-01 -0.869034D+00 -0.232502D+00 -0.603307D+00 -0.233718D+00
      3  -0.146322D+01  0.272836D+00 -0.603307D+00  0.775957D+00 -0.331033D+01
               206           207           208           209           210 
      1  -0.233718D+00 -0.331033D+01 -0.717690D+01  0.204282D+01  0.238753D+01
      2  -0.114702D+01  0.186896D+00  0.204282D+01 -0.146897D+01 -0.775716D+00
      3   0.186896D+00 -0.656759D+01  0.238753D+01 -0.775716D+00 -0.176046D+01
               211           212           213           214           215 
      1   0.513160D+01 -0.226927D+01 -0.128867D+01  0.499312D+01 -0.102912D+01
      2  -0.226927D+01  0.138151D+01  0.112212D+01 -0.102912D+01  0.144211D+01
      3  -0.128867D+01  0.112212D+01  0.136209D+01 -0.275815D+01  0.974674D+00
               216           217           218           219           220 
      1  -0.275815D+01 -0.419288D+01  0.321369D+01  0.174084D+01  0.265421D+01
      2   0.974674D+00  0.321369D+01 -0.331471D+01 -0.116186D+01 -0.292171D+01
      3   0.171544D+01  0.174084D+01 -0.116186D+01 -0.147263D+01 -0.114293D+01
               221           222           223           224           225 
      1  -0.292171D+01 -0.114293D+01  0.289458D+01 -0.188315D+01 -0.187590D+01
      2   0.394578D+01  0.168466D+01 -0.188315D+01  0.288386D+01  0.200053D+01
      3   0.168466D+01  0.140014D+01 -0.187590D+01  0.200053D+01  0.165594D+01
               226           227           228           229           230 
      1  -0.481475D+00  0.873313D+00 -0.761464D+00  0.694715D+00 -0.559117D+00
      2   0.873313D+00 -0.736719D+00  0.246373D+00 -0.559117D+00  0.107806D+01
      3  -0.761464D+00  0.246373D+00 -0.107637D+01  0.178200D+00 -0.981656D+00
               231           232           233           234           235 
      1   0.178200D+00 -0.175683D+01  0.684857D+00 -0.145229D+01  0.815291D+01
      2  -0.981656D+00  0.684857D+00 -0.244164D+01  0.229508D+01  0.120650D+01
      3   0.113042D+01 -0.145229D+01  0.229508D+01 -0.609715D+01  0.113367D+01
               236           237           238           239           240 
      1   0.120650D+01  0.113367D+01  0.988594D+00  0.140930D+01  0.207477D+00
      2   0.244292D+01  0.304931D+00  0.140930D+01  0.126131D+01  0.414257D+00
      3   0.304931D+00  0.748788D+00  0.207477D+00  0.414257D+00  0.668251D+00
               241           242           243           244           245 
      1   0.110152D+01  0.332999D+00  0.365052D+00 -0.284113D+00 -0.110192D+01
      2   0.332999D+00  0.776802D+00  0.840308D+00 -0.110192D+01  0.547109D+00
      3   0.365052D+00  0.840308D+00  0.157216D+00  0.117488D+01 -0.227433D+00
               246           247           248           249           250 
      1   0.117488D+01 -0.196349D+01  0.943421D+00 -0.438872D+00  0.213890D+01
      2  -0.227433D+00  0.943421D+00 -0.139290D+01  0.146669D+01 -0.226745D+00
      3   0.105838D+01 -0.438872D+00  0.146669D+01 -0.189934D+01  0.193781D+01
               251           252           253           254           255 
      1  -0.226745D+00  0.193781D+01 -0.763863D+01 -0.374650D+01 -0.398256D+01
      2   0.182531D+01 -0.150884D+01 -0.374650D+01  0.107288D+01  0.384734D+00
      3  -0.150884D+01  0.510677D+01 -0.398256D+01  0.384734D+00  0.168397D+01
               256           257           258           259           260 
      1   0.149105D+01  0.357118D+01  0.116888D+01 -0.363918D+01  0.567360D+00
      2   0.357118D+01  0.410627D+01  0.225609D+01  0.567360D+00  0.148248D+01
      3   0.116888D+01  0.225609D+01 -0.180853D+01  0.194394D+01 -0.301031D+01
               261           262           263           264           265 
      1   0.194394D+01  0.394687D+01 -0.272924D+01 -0.184565D+01 -0.173161D+01
      2  -0.301031D+01 -0.272924D+01  0.248799D+01  0.126715D+01  0.193514D+01
      3   0.133325D+00 -0.184565D+01  0.126715D+01  0.165022D+01  0.986089D+00
               266           267           268           269           270 
      1   0.193514D+01  0.986089D+00 -0.371515D+01  0.284883D+01  0.287618D+01
      2  -0.295529D+01 -0.116154D+01  0.284883D+01 -0.327751D+01 -0.243612D+01
      3  -0.116154D+01 -0.124134D+01  0.287618D+01 -0.243612D+01 -0.307578D+01
               271           272           273           274           275 
      1  -0.148636D+01  0.113160D+01  0.164225D+01  0.591264D+00 -0.820419D+00
      2   0.113160D+01 -0.209710D+01 -0.140040D+01 -0.820419D+00  0.174147D+01
      3   0.164225D+01 -0.140040D+01 -0.223326D+01 -0.537004D+00  0.125701D+01
               276           277           278           279           280 
      1  -0.537004D+00  0.205342D+01 -0.482828D+00 -0.111122D+01  0.339985D+00
      2   0.125701D+01 -0.482828D+00  0.230800D+01  0.255050D+01  0.684905D+00
      3   0.155278D+01 -0.111122D+01  0.255050D+01  0.414656D+01 -0.294365D+00
               281           282           283           284           285 
      1   0.684905D+00 -0.294365D+00  0.869866D+00 -0.139994D-01 -0.623599D-01
      2  -0.692629D+00  0.779284D-01 -0.139994D-01  0.294820D+01 -0.158121D+01
      3   0.779284D-01 -0.441052D+00 -0.623599D-01 -0.158121D+01  0.174244D+01
               286           287           288           289           290 
      1  -0.156537D+01 -0.494592D+00 -0.399581D+00  0.118449D+02  0.417268D+01
      2  -0.494592D+00 -0.335160D+01  0.160793D+01  0.417268D+01  0.290233D+01
      3  -0.399581D+00  0.160793D+01 -0.284802D+01  0.325300D+01  0.129796D+01
               291           292           293           294           295 
      1   0.325300D+01  0.193037D+01  0.169603D+01  0.530233D+00  0.285427D+01
      2   0.129796D+01  0.169603D+01  0.113544D+01  0.462359D+00  0.104701D+01
      3   0.179935D+01  0.530233D+00  0.462359D+00  0.465507D+00  0.179879D+01
               296           297 
      1   0.104701D+01  0.179879D+01
      2   0.766923D+00  0.114250D+01
      3   0.114250D+01  0.136532D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.236030D+01 -0.854250D+00 -0.249822D+01 -0.676642D+01 -0.156406D+01
      2   0.260014D+01 -0.207905D+01  0.210021D+01 -0.584724D+01  0.160202D+01
      3  -0.686304D+01 -0.348026D+01 -0.197212D-01  0.106297D+02 -0.120763D+01
                 6             7             8             9            10 
      1  -0.370504D+01 -0.435680D+01  0.256444D+01 -0.505185D+00 -0.983328D+00
      2  -0.146731D+01 -0.476016D+01 -0.137832D+01 -0.310595D+00  0.417058D+01
      3   0.314880D+01 -0.382147D+01 -0.130920D+01  0.331966D+01  0.129962D+02
                11            12            13            14            15 
      1  -0.167458D+01  0.138884D+01 -0.532786D+01  0.489533D+01 -0.680939D+01
      2   0.112319D+01 -0.319084D+01  0.734085D+01  0.291838D+01 -0.262385D+01
      3   0.144128D+01  0.647808D+00  0.144564D+02  0.148131D+01  0.952907D+00
                16            17            18            19            20 
      1   0.710655D+01  0.466775D+00 -0.562895D+01 -0.207781D+01  0.146971D+01
      2  -0.212052D+02 -0.228964D+01  0.132061D+01  0.126854D+01 -0.235081D+01
      3  -0.418627D+01  0.100536D+01 -0.102336D+01  0.247450D+01 -0.525089D+00
                21            22            23            24            25 
      1  -0.872751D+00  0.399199D+01  0.950285D+00  0.233663D-01  0.290927D+01
      2   0.833509D+01  0.248032D+01 -0.313863D+01  0.373080D+01 -0.887859D+01
      3   0.339707D+01  0.130522D+02  0.345518D+01  0.652508D+00  0.204393D+01
                26            27            28            29            30 
      1   0.335857D+01  0.395896D+01  0.126987D+01 -0.175682D+01  0.460089D+01
      2   0.886989D-01 -0.585579D-01 -0.381813D+01  0.877164D+00 -0.298745D+01
      3   0.294948D-01 -0.220451D+01 -0.126147D+02 -0.181366D+01 -0.260883D+01
                31            32            33            34            35 
      1  -0.172935D+01  0.530681D+01 -0.560009D+01  0.889134D+01  0.215906D+01
      2   0.683289D+01  0.285146D+01 -0.413296D+01 -0.204182D+02 -0.639480D+01
      3   0.136401D+02  0.107722D+01 -0.148179D+01 -0.956254D+01 -0.721999D+00
                36            37            38            39            40 
      1  -0.413040D+01  0.592242D+00 -0.128886D+01  0.429715D+00 -0.490688D+01
      2  -0.345574D+01  0.713103D+01 -0.922722D+00  0.291057D+01 -0.706457D+01
      3  -0.152198D+01  0.283082D+01 -0.178550D+01  0.269308D+01  0.888284D+01
                41            42            43            44            45 
      1  -0.259118D+01 -0.351433D+01 -0.424198D+01  0.154908D+01 -0.252562D+01
      2   0.112389D+01 -0.222573D+01  0.695110D-01 -0.298724D+00  0.254852D+00
      3  -0.740917D+00  0.282482D+01  0.870536D+01  0.105743D+01  0.506826D+01
                46            47            48            49            50 
      1  -0.334067D+00  0.260114D+01 -0.158367D+01  0.612568D+01  0.396491D+00
      2  -0.335033D+01 -0.361272D+01  0.837407D+01 -0.538842D+01 -0.347924D+01
      3  -0.117535D+02 -0.332748D+01  0.225675D+01  0.648887D+01  0.148294D+01
                51            52            53            54            55 
      1  -0.196159D+01  0.259092D+01  0.271690D+01  0.985664D+00 -0.185146D+01
      2   0.488157D+01 -0.541789D+01  0.730911D+00 -0.119221D+01  0.494483D+01
      3  -0.105329D+01  0.912197D+01  0.100138D+01 -0.208700D+01 -0.155500D+02
                56            57            58            59            60 
      1   0.505174D+00 -0.141226D+00 -0.273962D-01 -0.635243D+01 -0.272692D+01
      2  -0.160408D+01  0.389412D+00 -0.351234D+01  0.596692D+01  0.376288D+01
      3   0.607669D+01  0.186579D+01  0.277781D+02  0.129915D+02 -0.156381D+01
                61            62            63            64            65 
      1   0.934204D+00  0.210762D+01  0.631431D+01  0.205248D+01 -0.465990D+00
      2  -0.195885D+02  0.290931D+01 -0.206715D+02 -0.107320D+02  0.215454D+01
      3   0.935043D+01 -0.629584D+01 -0.490227D+01  0.256872D+02 -0.125011D+02
                66            67            68            69            70 
      1   0.745660D+00  0.120848D+01 -0.866028D+00 -0.236788D+01 -0.130664D+01
      2   0.110650D+02  0.419821D+01 -0.494740D+01 -0.626689D+01  0.108338D+02
      3  -0.216700D+01 -0.124283D+02 -0.191482D+02  0.298026D+01 -0.855862D+01
                71            72            73            74            75 
      1   0.396460D+01  0.140236D+01 -0.947839D+00 -0.273558D+00  0.117509D+01
      2  -0.879553D+01  0.335966D+02  0.140136D+02 -0.385980D+01 -0.140108D+02
      3   0.619305D+01  0.881015D+01 -0.190124D+02  0.108176D+02  0.517331D+01
                76            77            78            79            80 
      1  -0.105125D+01 -0.175235D+01 -0.186225D+01  0.214877D+01  0.128501D+01
      2  -0.524187D+01  0.133283D+02  0.828994D+01 -0.289401D+02  0.683140D+01
      3   0.271904D+02  0.325256D+02 -0.126720D+02  0.656055D+01 -0.134468D+02
                81            82            83            84            85 
      1   0.209263D+01  0.499457D+01 -0.180007D+01 -0.417974D+01 -0.203279D+01
      2  -0.284856D+02  0.102698D+02 -0.430029D+01 -0.552931D+01 -0.462922D+01
      3  -0.983555D+01 -0.272996D+02 -0.380708D+01 -0.164244D+01  0.109868D+01
                86            87            88            89            90 
      1   0.526550D+01  0.340934D+01 -0.611917D+01  0.924843D+01 -0.921153D+01
      2   0.541808D+01  0.851870D+01 -0.128965D+02  0.117588D+02 -0.185529D+02
      3   0.147755D+02 -0.370765D+01 -0.147568D+01 -0.652450D+01 -0.849204D+01
                91            92            93            94            95 
      1  -0.137555D+01 -0.211922D+01  0.745205D+00 -0.406293D+01 -0.211991D+01
      2   0.856182D+01 -0.215194D+01  0.180354D+00 -0.875267D+01 -0.439795D+01
      3  -0.632877D+01  0.215743D+01  0.215737D+01  0.232293D+02  0.110557D+02
                96            97            98            99           100 
      1  -0.651268D+01  0.337805D+01  0.189156D+01  0.388781D+01  0.182613D+01
      2   0.839064D+01 -0.230310D+02  0.100348D+02 -0.421508D+01 -0.163263D+02
      3   0.809175D+01  0.877177D+01  0.465497D+01 -0.102415D+02  0.157031D+02
               101           102           103           104           105 
      1   0.688497D+01 -0.943627D+00  0.298890D+01  0.534221D+01  0.150854D+01
      2   0.652856D+01  0.484803D+01  0.101797D+02  0.113007D+01 -0.102502D+02
      3  -0.504709D+01 -0.487725D+01  0.244088D+00 -0.423234D+01 -0.399122D+01
               106           107           108           109           110 
      1  -0.299937D+01  0.652461D+00 -0.286060D+01 -0.169042D+01 -0.441125D+01
      2  -0.676292D+01 -0.896133D+01  0.183074D+02 -0.521417D+01 -0.337476D+01
      3  -0.204033D+01 -0.120207D+02  0.810264D+01 -0.994363D+01 -0.834423D+01
               111           112           113           114           115 
      1  -0.833332D+00 -0.930730D+00 -0.553699D+01 -0.269905D+01 -0.149852D+00
      2   0.810726D+01 -0.680492D+01 -0.855660D+01  0.110473D+02  0.105105D+02
      3   0.362710D+01 -0.211022D+01 -0.162225D+02  0.758911D+01 -0.296720D+01
               116           117           118           119           120 
      1   0.794176D+01  0.460339D+00  0.318392D+01 -0.146928D+01 -0.721995D+00
      2   0.993437D+01 -0.310495D+02  0.101783D+02 -0.703264D+01 -0.337012D+01
      3   0.151993D+02 -0.864699D+01 -0.399924D+00  0.284937D+01  0.371460D+01
               121           122           123           124           125 
      1   0.971188D+00  0.163233D+01 -0.599245D+01 -0.328557D+01  0.283098D+01
      2  -0.250615D+01  0.549482D+01  0.982533D+00 -0.715664D+01  0.252079D+01
      3   0.284436D+01  0.187729D+02 -0.486127D+01  0.769294D+01 -0.986781D+01
               126           127           128           129           130 
      1   0.591976D+01  0.223006D+00 -0.180549D+01 -0.881530D+00  0.872207D+00
      2   0.117040D+02  0.510919D+01  0.119054D+01  0.843857D-01  0.175445D+01
      3   0.174962D+00  0.425464D+01 -0.466473D+00 -0.903357D+00  0.406718D+01
               131           132           133           134           135 
      1  -0.238086D+00 -0.329342D+01 -0.547307D+00  0.192323D+01  0.170968D+01
      2   0.420300D+00  0.534024D+00 -0.282531D+01 -0.469656D-01 -0.160042D+01
      3  -0.108854D+01 -0.531549D+00 -0.158125D+01  0.163764D+01  0.547187D-01
               136           137           138           139           140 
      1   0.143556D+01  0.981974D+00  0.219671D+01 -0.442116D+00 -0.722004D+00
      2  -0.341245D+01  0.283712D+00 -0.718988D+00  0.456329D+00  0.114852D+00
      3  -0.301390D+01 -0.396380D+00 -0.173810D+01  0.155797D+01  0.673971D+00
               141           142           143           144           145 
      1  -0.289246D+01  0.531156D+00  0.317179D+01  0.221253D+01 -0.127277D+01
      2  -0.123580D+01 -0.447744D+01  0.158535D+00  0.944252D+00  0.576346D+01
      3   0.494188D+00 -0.243203D+01 -0.799555D+00 -0.153430D+01  0.295439D+01
               146           147           148           149           150 
      1  -0.256616D+01 -0.280701D+00 -0.821190D+00 -0.124040D+01 -0.189586D+01
      2   0.144322D+01 -0.274798D+00  0.311791D+01  0.626207D+00  0.463676D+00
      3  -0.836336D+00 -0.459180D+00  0.276091D+01 -0.945809D+00  0.708908D-02
               151           152           153           154           155 
      1   0.347070D+00  0.273427D+01  0.331991D+00 -0.356784D+00  0.130899D+01
      2  -0.263573D+01 -0.367963D+00 -0.115471D+01 -0.371905D+01  0.560427D+00
      3  -0.733659D+00  0.213112D+01 -0.266004D+00 -0.125142D+01 -0.505796D+00
               156           157           158           159           160 
      1   0.619354D+00  0.120470D+00 -0.124769D+01 -0.100848D+01 -0.137718D+01
      2  -0.508458D+00  0.406399D+00  0.232163D+00 -0.143706D+01 -0.487087D+01
      3  -0.324935D+00  0.112726D+01  0.655265D+00 -0.222594D+00 -0.643903D+00
               161           162           163           164           165 
      1   0.445854D+01 -0.128974D+01  0.112331D+01  0.979937D+00 -0.917645D+00
      2   0.145406D+00  0.175382D+01 -0.347342D+01 -0.494803D+00  0.208625D+01
      3  -0.143897D+01  0.115597D+00 -0.163831D+01 -0.500739D+01 -0.837077D+00
               166           167           168           169           170 
      1   0.155142D+01  0.550039D+01 -0.310982D+01 -0.885270D+00 -0.935696D+00
      2  -0.146807D+01 -0.218299D+01  0.268841D+01  0.149803D+01  0.249785D+01
      3  -0.240222D+01 -0.225512D+02 -0.126474D+01 -0.249307D+01  0.335809D+01
               171           172           173           174           175 
      1   0.194379D+00 -0.156901D+01  0.586290D+00 -0.955634D+00  0.118344D-01
      2   0.102657D+01  0.385919D+01  0.737179D+00  0.473578D+01  0.101624D+01
      3  -0.150922D+01  0.275032D+01 -0.270409D+01  0.690427D+00 -0.209464D+01
               176           177           178           179           180 
      1  -0.632654D+00  0.156167D+00 -0.180988D+01  0.302450D+01 -0.716053D+01
      2   0.139450D+01 -0.306746D+01  0.608445D+00  0.200409D+01  0.206251D+02
      3  -0.381039D+00 -0.212822D+01  0.209342D+01 -0.348427D+01  0.776868D+00
               181           182           183           184           185 
      1  -0.151959D+01  0.827797D+00 -0.145788D+00  0.345707D+00 -0.248537D+00
      2  -0.715394D+01  0.593320D+00 -0.346905D+01  0.211033D+01 -0.404076D+01
      3  -0.467560D+01  0.129459D+01 -0.202936D+00  0.390389D+01  0.189854D+00
               186           187           188           189           190 
      1  -0.599472D+00 -0.701958D+00  0.341391D+01 -0.108031D+01  0.132912D+00
      2   0.404819D+01 -0.720889D+01  0.389705D+01 -0.299336D+02 -0.266791D+01
      3   0.367265D+01 -0.605950D+00  0.481167D+01 -0.361633D+01 -0.634111D+01
               191           192           193           194           195 
      1   0.701580D-01 -0.639549D+00  0.244894D+00  0.337201D+00 -0.345576D+01
      2  -0.814507D+00  0.310974D+01 -0.164215D+01 -0.688938D+01  0.740299D+01
      3  -0.781040D+01  0.572280D+00 -0.127558D+02 -0.435295D+02  0.629162D+01
               196           197           198           199           200 
      1  -0.531949D+00  0.412256D+00  0.435488D+00 -0.664973D+00  0.471937D+00
      2   0.435139D+01  0.510455D+01 -0.131046D+01  0.704172D+01  0.181114D+00
      3   0.160766D+01  0.845144D+01 -0.429514D+01  0.261786D+01 -0.334581D+01
               201           202           203           204           205 
      1  -0.855756D+00  0.146362D+00 -0.469267D+00 -0.467846D+00 -0.114851D+01
      2   0.944417D+01 -0.929757D+00  0.306081D+01 -0.444177D+01  0.144823D+02
      3   0.507145D+00 -0.378497D+01 -0.735447D+00 -0.311472D+01  0.499230D+00
               206           207           208           209           210 
      1   0.310306D+01 -0.273069D+01  0.870826D+00 -0.986001D+00  0.223908D-01
      2  -0.139860D+01  0.376368D+02 -0.128275D+02  0.434352D+01  0.125892D+02
      3  -0.721607D+01  0.325563D+01  0.138769D+02 -0.118839D+02 -0.556090D+01
               211           212           213           214           215 
      1  -0.361938D+00  0.100467D+01 -0.652758D+00 -0.545146D+00  0.184573D+01
      2   0.657673D+01 -0.642571D+01 -0.887080D+01  0.137401D+02 -0.564343D+01
      3  -0.129050D+02  0.966962D+01  0.699038D+01 -0.720375D+01  0.981959D+01
               216           217           218           219           220 
      1   0.101968D+00 -0.363522D+01  0.171949D+01  0.458686D+01  0.276497D+01
      2  -0.101808D+02 -0.640250D+01  0.466780D+01  0.747603D+01  0.396390D+01
      3   0.673317D+01  0.481704D+01 -0.992063D+01 -0.149819D+01 -0.349755D+01
               221           222           223           224           225 
      1  -0.294284D+01 -0.455207D+01  0.398585D+01 -0.224143D+01 -0.375620D+01
      2  -0.653866D+01 -0.655333D+01  0.587381D+01 -0.780672D+01 -0.689115D+01
      3   0.113704D+02  0.433770D+01 -0.125063D+01  0.914345D+01  0.491202D+01
               226           227           228           229           230 
      1   0.147830D+01 -0.420126D-01  0.222917D+01 -0.472881D+00  0.155312D+01
      2   0.285564D+01 -0.952511D+00  0.450033D+01 -0.282560D+00  0.336597D+01
      3   0.341551D+01 -0.245298D+01  0.424509D-01  0.350335D+00  0.312438D+01
               231           232           233           234           235 
      1  -0.374281D+01  0.261910D+01 -0.110222D+01  0.130383D+02 -0.113222D+01
      2  -0.398713D+01  0.166187D+01 -0.839028D+01  0.231879D+02 -0.403491D+01
      3  -0.323451D+01 -0.125304D+01 -0.943728D+01  0.739859D+01  0.259337D+02
               236           237           238           239           240 
      1  -0.304305D+00 -0.248068D+01 -0.150958D+00 -0.740141D+00 -0.193309D+01
      2  -0.948013D+00 -0.123758D+01 -0.592690D+00 -0.155504D+01 -0.120440D+01
      3   0.980492D+01  0.357952D+01  0.101213D+02  0.627543D+01  0.222783D+01
               241           242           243           244           245 
      1  -0.194800D+01 -0.726196D-01 -0.415381D-01 -0.186040D+01  0.889585D+00
      2  -0.402669D+01 -0.249398D+01 -0.249513D+00  0.436552D+01  0.462499D+00
      3   0.320598D+01  0.326560D+01  0.400102D+01  0.389705D+01 -0.237455D+01
               246           247           248           249           250 
      1  -0.657989D+00  0.643355D+00 -0.282154D+01  0.576658D+00 -0.102928D+01
      2   0.326784D+01  0.146763D+01  0.403529D+01 -0.563325D+01  0.152623D+01
      3   0.111838D+01 -0.423589D+00  0.441454D+01 -0.466589D+01  0.104837D+00
               251           252           253           254           255 
      1   0.437428D+01 -0.241547D+01  0.367342D+01  0.135032D+01 -0.482725D+01
      2  -0.497471D+01  0.139267D+02 -0.553757D+01  0.446347D+01  0.122532D+02
      3  -0.611531D+01  0.558963D+01 -0.348701D+01 -0.142278D+02 -0.939918D+01
               256           257           258           259           260 
      1   0.302195D+01 -0.425259D-01  0.721177D+01 -0.264700D+01  0.124439D+02
      2   0.272172D+01  0.448992D+01 -0.883908D+01  0.886565D+01 -0.111466D+02
      3  -0.142747D+02 -0.981798D+01 -0.717866D+01 -0.820904D+01 -0.477779D+01
               261           262           263           264           265 
      1  -0.377064D+01 -0.253191D+01  0.967731D+00  0.289099D+01  0.210970D+01
      2  -0.883234D+00 -0.615162D+01  0.518463D+01  0.660016D+01  0.352314D+01
      3   0.140296D+02  0.525797D+01 -0.758056D+01 -0.241942D+01 -0.395684D+01
               266           267           268           269           270 
      1  -0.193447D+01 -0.242807D+01  0.344587D+01 -0.151837D+01 -0.463786D+01
      2  -0.491572D+01 -0.529072D+01  0.954207D+01 -0.941146D+01 -0.129858D+02
      3   0.896294D+01  0.317304D+01 -0.625382D+01  0.108269D+02  0.659471D+01
               271           272           273           274           275 
      1  -0.240512D+01 -0.106134D+01  0.401401D+01 -0.410850D+00 -0.448490D+00
      2   0.839810D+01 -0.506847D+01 -0.793914D+01 -0.243121D+01  0.501835D+01
      3  -0.845928D+01  0.730853D+01  0.752189D+01  0.546677D+01 -0.653239D+01
               276           277           278           279           280 
      1  -0.306045D+01  0.258441D+01 -0.473197D+00 -0.579133D+01  0.235501D+01
      2   0.516452D+01 -0.805332D+01  0.808191D+01  0.132020D+02 -0.197434D+01
      3  -0.520480D+01  0.652320D+01 -0.766875D+01 -0.109562D+02 -0.317807D+01
               281           282           283           284           285 
      1  -0.648381D+00  0.197873D+01 -0.550717D-01  0.651070D+01 -0.719895D+01
      2  -0.255252D+00 -0.136521D+01 -0.839221D+00 -0.507315D+01  0.544165D+01
      3   0.274342D+01 -0.138310D+01  0.288821D+01 -0.928597D+01  0.524530D+01
               286           287           288           289           290 
      1   0.150974D+01 -0.517550D+01  0.109545D+02 -0.136339D+01  0.191236D+01
      2  -0.287832D+01  0.551929D+01 -0.915042D+01 -0.201251D+01  0.236222D+00
      3  -0.312281D+01  0.100267D+02 -0.685197D+01  0.736205D+01 -0.596023D+01
               291           292           293           294           295 
      1  -0.320653D+01  0.708693D+00  0.607817D+00 -0.199739D+01 -0.237038D+01
      2   0.529926D+01 -0.213689D+00 -0.451018D+00  0.217998D+01  0.188004D+01
      3   0.126744D+01 -0.556536D+00 -0.155111D+01 -0.795234D-01  0.211376D+01
               296           297 
      1  -0.512670D+00 -0.125483D+01
      2   0.259755D+01  0.312164D+01
      3  -0.148830D+01 -0.952796D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.835378D+01 -0.119391D+02  0.217365D+02  0.141154D+02 -0.146596D+02
      2  -0.363173D+01  0.408413D+01 -0.246441D+01 -0.687475D+00  0.226526D+02
      3   0.119855D+02  0.785493D+01 -0.192721D+02 -0.134279D+02 -0.799304D+01
      4  -0.979122D+01 -0.601115D+01  0.858506D+01  0.210080D+01  0.660731D+00
      5   0.880919D+01  0.621304D+01  0.432789D+01  0.828013D+01  0.261253D+01
      6   0.561202D+01 -0.326047D+01  0.365048D+01  0.623831D+01 -0.188280D+00
                 6             7             8             9            10 
      1   0.320194D+01 -0.357738D+02 -0.139100D+02  0.753345D+01  0.543998D+02
      2  -0.536264D+01  0.119481D+02  0.724184D+01 -0.943821D+01 -0.210649D+02
      3   0.216070D+01  0.238256D+02  0.666814D+01  0.190477D+01 -0.333349D+02
      4   0.341278D+01 -0.391223D+01  0.661861D+00 -0.501534D+01  0.682880D+00
      5  -0.710121D+01  0.749019D+01 -0.651353D+01  0.242686D+01  0.336796D+01
      6   0.905300D+00 -0.109483D+02 -0.678285D+01  0.734841D+01  0.210133D+01
                11            12            13            14            15 
      1   0.273842D+00  0.478503D+01 -0.656611D+01 -0.582371D+01  0.842311D+01
      2   0.198880D+01 -0.500813D+01  0.415857D+01  0.634417D+01 -0.396043D+01
      3  -0.226264D+01  0.223097D+00  0.240754D+01 -0.520460D+00 -0.446268D+01
      4   0.219958D+01 -0.455088D+01  0.813513D+01  0.276085D+01  0.955699D+00
      5  -0.446729D+01  0.391510D+01  0.135237D+02  0.816257D-01  0.193315D+01
      6  -0.152917D+01  0.318858D+01  0.466982D+01  0.383542D+01  0.114606D+02
                16            17            18            19            20 
      1   0.748041D+01  0.107721D+02 -0.144178D+02  0.127339D+02  0.194372D+02
      2   0.349053D+01  0.523814D+01  0.346651D+01  0.312397D+01 -0.145681D+02
      3  -0.109709D+02 -0.160102D+02  0.109513D+02 -0.158578D+02 -0.486908D+01
      4   0.193438D+02  0.176015D+01 -0.982350D+00  0.335603D+01  0.351121D+01
      5  -0.923515D+01 -0.902976D-01  0.339609D+01 -0.138912D+02  0.195790D+01
      6   0.462884D+01  0.568929D+01 -0.472936D+01 -0.276403D+01  0.516190D+01
                21            22            23            24            25 
      1  -0.187596D+02 -0.107976D+02 -0.299691D+01 -0.157727D+02  0.150731D+02
      2   0.121842D+02  0.246051D+01  0.113132D+02 -0.569339D+01 -0.436006D+01
      3   0.657532D+01  0.833712D+01 -0.831630D+01  0.214661D+02 -0.107131D+02
      4   0.379874D-01  0.120950D+02 -0.640387D+01 -0.598970D+00  0.231722D+01
      5  -0.113158D+02 -0.267348D+01 -0.475361D+00 -0.551490D+00  0.816804D+01
      6  -0.709680D+01 -0.371579D+01 -0.281250D+01  0.702934D+00  0.126162D+02
                26            27            28            29            30 
      1  -0.672541D+01  0.717646D+00  0.972683D+01  0.350851D+01  0.266674D+00
      2  -0.153703D+01 -0.287302D+01 -0.162449D+01 -0.257755D+01 -0.299537D+01
      3   0.826245D+01  0.215537D+01 -0.810234D+01 -0.930962D+00  0.272870D+01
      4  -0.242289D+01  0.809161D+01  0.317901D+01  0.477686D+01 -0.187291D+01
      5   0.791385D+01 -0.605011D+01  0.720466D+01 -0.127001D+01  0.622777D+01
      6   0.206623D+01  0.124088D+02  0.735256D+01  0.311238D+01 -0.797158D+00
                31            32            33            34            35 
      1  -0.968464D+01 -0.785540D+01  0.977008D+01  0.115632D+01  0.125446D+02
      2  -0.136797D+01  0.274790D+01 -0.442225D+01  0.508646D+01  0.345317D+01
      3   0.110526D+02  0.510750D+01 -0.534783D+01 -0.624279D+01 -0.159978D+02
      4   0.863805D+01  0.304715D+01  0.274262D+01  0.212228D+02  0.282761D+01
      5   0.180994D+02  0.381642D+01  0.144550D+01 -0.635062D+01 -0.315003D+01
      6   0.374773D+01  0.516514D+01  0.102457D+02  0.236006D+01  0.578304D+01
                36            37            38            39            40 
      1  -0.164264D+02  0.293508D+01 -0.921853D+01  0.231202D+02  0.108374D+02
      2   0.398373D+01 -0.881915D+01  0.230830D+01 -0.497486D+01  0.111553D+01
      3   0.124427D+02  0.588407D+01  0.691023D+01 -0.181453D+02 -0.119529D+02
      4  -0.307365D+01 -0.128482D+02 -0.525683D+01  0.601124D+01  0.521005D+01
      5  -0.156319D+01  0.980237D+01  0.365695D+01  0.441347D+01  0.425542D+01
      6  -0.640806D+01  0.398816D+01 -0.373934D+01 -0.148040D+01  0.348564D+01
                41            42            43            44            45 
      1  -0.627276D+01 -0.486737D+00 -0.213118D+02 -0.117129D+02  0.100025D+02
      2   0.125993D+02 -0.201919D+01  0.361686D+01  0.292121D+01 -0.829838D+01
      3  -0.632655D+01  0.250592D+01  0.176949D+02  0.879173D+01 -0.170409D+01
      4   0.747520D+00  0.781819D+00 -0.775271D+01 -0.395127D+01 -0.582723D+01
      5   0.223472D+01 -0.801283D+01  0.911453D+01 -0.522529D+01  0.142692D+01
      6   0.201708D+01  0.239099D+01 -0.127624D+02 -0.449303D+01  0.771701D+01
                46            47            48            49            50 
      1  -0.476415D+01  0.119884D+02 -0.162117D+02 -0.217906D+02  0.215615D+01
      2   0.104688D+02 -0.642689D+01  0.986495D+01  0.821320D+01  0.444977D+01
      3  -0.570466D+01 -0.556148D+01  0.634678D+01  0.135774D+02 -0.660592D+01
      4   0.825609D+01  0.738477D+01 -0.135012D+01  0.133548D+02 -0.441485D+01
      5  -0.141771D+02  0.104165D+01 -0.903665D+01 -0.788828D+01 -0.266435D+00
      6   0.265615D+00  0.335220D+01 -0.573428D+01 -0.291321D+01  0.180113D+01
                51            52            53            54            55 
      1  -0.213590D+02  0.240164D+02 -0.599759D+01 -0.314778D+00 -0.542126D+02
      2   0.191793D+00 -0.667027D+01 -0.132650D+01  0.200739D+00  0.200943D+02
      3   0.211672D+02 -0.173461D+02  0.732409D+01  0.114039D+00  0.341183D+02
      4   0.274374D+00  0.233641D+01 -0.110909D+01  0.510827D+01  0.980785D+01
      5   0.829792D-01  0.581372D+01  0.486162D+01 -0.585775D+01  0.631387D+01
      6   0.402601D+01  0.858072D+01  0.335273D+01  0.155498D+02  0.118667D+01
                56            57            58            59            60 
      1   0.120918D+02  0.547132D+01  0.426483D+02 -0.108003D+02 -0.589020D+01
      2  -0.806476D+01 -0.819632D+00 -0.313707D+02 -0.116594D+02  0.125808D+01
      3  -0.402705D+01 -0.465169D+01 -0.112776D+02  0.224597D+02  0.463212D+01
      4  -0.167903D+02 -0.249024D+01 -0.337434D+02 -0.408093D+02  0.224027D+01
      5  -0.257538D+01 -0.773637D+01 -0.591164D+01  0.358151D+01  0.663984D+01
      6  -0.179530D+01 -0.910250D+00 -0.365189D+01 -0.156960D+01  0.172092D+01
                61            62            63            64            65 
      1   0.400346D+02 -0.831050D+01 -0.156499D+01 -0.264826D+02 -0.366654D+02
      2  -0.116198D+02  0.563084D+01  0.135449D+02  0.189670D+02  0.153267D+02
      3  -0.284148D+02  0.267965D+01 -0.119799D+02  0.751553D+01  0.213387D+02
      4  -0.746231D+01  0.119056D+02  0.244490D+01 -0.400370D+02  0.154530D+02
      5  -0.193560D+02  0.266313D+01 -0.396470D+02 -0.143032D+02  0.376707D+01
      6  -0.192028D+01  0.466261D+00 -0.583557D+01  0.181659D+01  0.175986D+01
                66            67            68            69            70 
      1  -0.114273D+02 -0.747388D+02  0.290902D+02  0.246714D-02 -0.442872D+02
      2   0.784718D+01  0.384521D+02 -0.178954D+02  0.135733D+00  0.183893D+02
      3   0.358015D+01  0.362867D+02 -0.111948D+02 -0.138200D+00  0.258979D+02
      4   0.346405D+01  0.261392D+02  0.395998D+02 -0.583889D+01  0.551775D+01
      5   0.160859D+02  0.592475D+01 -0.699484D+01 -0.130449D+02  0.326837D+02
      6  -0.328703D+00 -0.109463D+01  0.281514D+01 -0.769010D+00 -0.141912D+01
                71            72            73            74            75 
      1   0.171572D+01  0.277228D+02  0.353981D+02  0.438215D+02  0.258994D+02
      2  -0.107322D+01 -0.731591D+01 -0.163284D+02 -0.249519D+02 -0.119360D+02
      3  -0.642498D+00 -0.204069D+02 -0.190697D+02 -0.188697D+02 -0.139635D+02
      4  -0.115659D+02 -0.141754D+02  0.443985D+02 -0.191447D+02 -0.778886D+01
      5  -0.136554D+02  0.595210D+02  0.285606D+02 -0.866445D+01 -0.307326D+02
      6   0.503567D+01  0.487893D+00 -0.121834D+00  0.126256D+01 -0.248131D+00
                76            77            78            79            80 
      1   0.609031D+02 -0.283009D+02 -0.121174D+02  0.419058D+02 -0.105726D+02
      2  -0.363762D+02  0.577537D+01  0.763874D+01 -0.172788D+02  0.736835D+01
      3  -0.245269D+02  0.225256D+02  0.447864D+01 -0.246271D+02  0.320430D+01
      4  -0.362057D+02 -0.611180D+02  0.238339D+02 -0.946899D+01  0.241916D+02
      5  -0.117439D+02  0.262260D+02  0.180496D+02 -0.507922D+02  0.148006D+02
      6   0.374396D+01  0.375993D+01 -0.536960D+00  0.417171D+00 -0.125832D+01
                81            82            83            84            85 
      1  -0.409293D+02  0.393907D+02  0.282093D+02  0.204203D+02  0.326117D+02
      2   0.273117D+02 -0.302602D+02 -0.862574D+01 -0.793483D+01 -0.119761D+02
      3   0.136176D+02 -0.913055D+01 -0.195835D+02 -0.124854D+02 -0.206356D+02
      4   0.149988D+02  0.258537D+02 -0.263133D+02 -0.140951D+02 -0.299506D+02
      5  -0.550470D+02  0.204833D+02 -0.101311D+02 -0.152241D+02 -0.938688D+01
      6  -0.284235D+01 -0.130698D+02  0.356142D+01  0.853829D+01  0.506269D+01
                86            87            88            89            90 
      1  -0.286236D+02 -0.329299D+01  0.274415D+02 -0.691154D+01 -0.996864D+01
      2   0.230344D+02 -0.402671D+01 -0.802547D+01 -0.324859D+01  0.393535D+01
      3   0.558921D+01  0.731969D+01 -0.194160D+02  0.101601D+02  0.603329D+01
      4  -0.156556D+02  0.126011D+02 -0.151282D+02  0.211784D+02  0.299543D+02
      5   0.122358D+02  0.181546D+02 -0.241469D+02  0.256639D+02 -0.374537D+02
      6  -0.968794D+01 -0.879017D+01  0.116634D+02 -0.129954D+02  0.173186D+02
                91            92            93            94            95 
      1   0.775637D+01  0.160109D+02  0.887066D+01  0.173117D+02 -0.138337D+01
      2  -0.455675D+01 -0.121003D+02 -0.169303D+01 -0.187902D+02 -0.506108D+01
      3  -0.319962D+01 -0.391062D+01 -0.717762D+01  0.147850D+01  0.644446D+01
      4   0.116448D+02 -0.908251D+01 -0.289366D+01 -0.318174D+02 -0.228983D+02
      5   0.551759D+01 -0.300111D+01 -0.701500D+01 -0.162718D+02 -0.158854D+02
      6   0.896899D+00 -0.455695D+01 -0.179300D+01 -0.110046D+02 -0.100243D+02
                96            97            98            99           100 
      1  -0.649027D+01  0.224745D+02 -0.848022D+01 -0.947192D+01 -0.654904D+01
      2  -0.642625D+01 -0.833786D+01 -0.498342D+01  0.124153D+02  0.390761D+01
      3   0.129165D+02 -0.141366D+02  0.134636D+02 -0.294341D+01  0.264143D+01
      4  -0.152731D+02 -0.149769D+02 -0.621087D+01  0.194200D+02 -0.106900D+02
      5   0.136645D+02 -0.195854D+02  0.197744D+02 -0.149703D+02  0.131098D+02
      6  -0.844278D+01  0.171929D+01 -0.156807D+01  0.597130D+01  0.301301D+01
               101           102           103           104           105 
      1  -0.116104D+02  0.282071D+01 -0.198975D+02  0.846494D+00  0.203164D+02
      2   0.113772D+02 -0.690002D+01  0.206518D+02 -0.897755D+01 -0.187603D+02
      3   0.233179D+00  0.407931D+01 -0.754230D+00  0.813106D+01 -0.155607D+01
      4  -0.567272D+01  0.115343D+02 -0.738814D+01  0.815544D+01 -0.137422D+01
      5   0.120941D+02 -0.185559D+01  0.333648D+02 -0.114805D+01 -0.265834D+02
      6   0.376376D+01 -0.130816D+01 -0.176051D+01  0.441954D+01 -0.106631D+01
               106           107           108           109           110 
      1   0.243989D+02  0.157110D+02 -0.115821D+01  0.485626D+02  0.163795D+02
      2  -0.167463D+02 -0.946334D+01  0.954846D+01 -0.304329D+02 -0.991896D+01
      3  -0.765255D+01 -0.624763D+01 -0.839025D+01 -0.181298D+02 -0.646054D+01
      4   0.206403D+02  0.130021D+02 -0.222099D+02  0.202828D+02  0.196980D+02
      5  -0.112131D+02 -0.219198D+02  0.275602D+02 -0.357514D+02 -0.111541D+02
      6  -0.422247D+01 -0.424627D+01  0.407512D+01 -0.478688D+01 -0.425638D+01
               111           112           113           114           115 
      1  -0.242924D+02  0.314998D+02  0.736790D+01 -0.955805D+01 -0.422711D+02
      2   0.176409D+02 -0.181899D+02 -0.305873D+01  0.109650D+02  0.286782D+02
      3   0.665144D+01 -0.133099D+02 -0.430916D+01 -0.140699D+01  0.135929D+02
      4  -0.864171D+01  0.218944D+02  0.338917D+02 -0.163995D+02 -0.109561D+02
      5   0.235556D+02 -0.215941D+02 -0.170080D+02  0.248041D+02  0.431128D+02
      6   0.359060D+01 -0.516282D+01 -0.840073D+01  0.106628D+02  0.203198D+01
               116           117           118           119           120 
      1  -0.450064D+01  0.994257D+01  0.849067D+00 -0.565574D+01  0.154607D+02
      2   0.787962D+01 -0.291871D+02  0.206253D+01  0.165082D+01 -0.645071D+01
      3  -0.337898D+01  0.192446D+02 -0.291160D+01  0.400492D+01 -0.900994D+01
      4  -0.278873D+02  0.208960D+02  0.830075D+00 -0.379583D+01 -0.177438D+02
      5   0.206522D+02 -0.633669D+02  0.208458D+02 -0.141682D+02 -0.852306D+01
      6   0.122138D+02 -0.891611D+01 -0.867678D+01  0.695010D+01  0.444604D+01
               121           122           123           124           125 
      1  -0.100657D+02 -0.122538D+02 -0.131732D+02  0.293395D+02 -0.196712D+02
      2  -0.146620D+01  0.293547D+02  0.629810D+01 -0.104323D+02  0.433975D+01
      3   0.115319D+02 -0.171009D+02  0.687508D+01 -0.189073D+02  0.153315D+02
      4   0.150463D+02 -0.380065D+02  0.148501D+02 -0.334870D+02  0.320631D+02
      5  -0.168997D+02  0.165090D+02  0.433524D+01 -0.119144D+02  0.674536D+01
      6   0.642141D+01 -0.259076D+01  0.389330D+01  0.746436D+01  0.133894D+01
               126           127           128           129           130 
      1  -0.121767D+02  0.184299D+01 -0.367409D+01  0.186129D+01 -0.412134D+00
      2   0.570848D+01  0.470035D+00  0.520183D+01 -0.762010D+00  0.962221D+00
      3   0.646825D+01 -0.231302D+01 -0.152774D+01 -0.109928D+01 -0.550087D+00
      4   0.898921D+01  0.107126D+02  0.943588D+01 -0.692306D+01  0.846963D+01
      5   0.256098D+02 -0.124370D+02 -0.789808D+01  0.101448D+02 -0.100859D+02
      6  -0.101131D+02 -0.847098D+01 -0.760087D+01  0.777417D+01 -0.804361D+01
               131           132           133           134           135 
      1  -0.792169D+01  0.770244D+01  0.429980D+01  0.105321D+02 -0.125430D+02
      2   0.722351D+01 -0.254921D+01 -0.103647D+01 -0.689978D+01  0.205389D+01
      3   0.698179D+00 -0.515323D+01 -0.326333D+01 -0.363229D+01  0.104891D+02
      4   0.100786D+02 -0.715459D+01 -0.758448D+01 -0.774727D+01  0.799063D+01
      5  -0.861698D+01  0.102714D+02  0.108124D+02  0.914233D+01 -0.140748D+02
      6  -0.115741D+02  0.114536D+02  0.896074D+01  0.136476D+02 -0.153381D+02
               136           137           138           139           140 
      1  -0.279316D+01  0.186687D+01 -0.598025D+01  0.345983D+01 -0.726159D+01
      2  -0.337736D+01  0.383506D+00 -0.405393D+01  0.304372D+00  0.183750D+01
      3   0.617052D+01 -0.225038D+01  0.100342D+02 -0.376420D+01  0.542409D+01
      4  -0.473980D+01  0.389805D+01 -0.523990D+01  0.299391D+01 -0.325620D+01
      5   0.880856D+01 -0.365992D+01  0.112073D+02 -0.378967D+01  0.300536D+01
      6  -0.487177D+01  0.337127D+01 -0.518686D+01  0.356497D+01 -0.777322D+01
               141           142           143           144           145 
      1   0.125648D+02 -0.733621D+01  0.121046D+02 -0.269573D+02  0.271100D+01
      2   0.107136D+01 -0.215471D+01 -0.225790D+01 -0.597759D+01 -0.166241D+01
      3  -0.136361D+02  0.949092D+01 -0.984668D+01  0.329349D+02 -0.104860D+01
      4   0.408132D+01 -0.612824D+01  0.658681D+01 -0.946016D+01  0.507092D+01
      5  -0.457837D+01  0.104280D+02 -0.579746D+01  0.155609D+02 -0.900136D+01
      6   0.107941D+02 -0.773938D+01  0.130847D+02 -0.206860D+02 -0.366777D+01
               146           147           148           149           150 
      1  -0.160643D+01  0.131138D+01 -0.171332D+01 -0.517363D+01  0.593468D+01
      2   0.181880D+01  0.936902D+00  0.201601D+00  0.343836D+01 -0.229411D+00
      3  -0.212371D+00 -0.224829D+01  0.151171D+01  0.173527D+01 -0.570527D+01
      4   0.509313D+01 -0.289707D+01  0.474292D+01  0.545932D+01 -0.325980D+01
      5  -0.400204D+01  0.732803D+01 -0.657104D+01 -0.555645D+01  0.752748D+01
      6  -0.329598D+01  0.377426D+01 -0.407539D+01 -0.646412D+01  0.649878D+01
               151           152           153           154           155 
      1   0.295079D+01  0.656471D+01 -0.991219D+01 -0.804492D+00  0.204580D+00
      2   0.996023D+00 -0.293809D+01 -0.122169D+01 -0.420018D+01  0.130649D+01
      3  -0.394682D+01 -0.362662D+01  0.111339D+02  0.500467D+01 -0.151107D+01
      4  -0.436436D+01 -0.419541D+01  0.382049D+01 -0.334114D+01  0.285243D+01
      5   0.913642D+01  0.563763D+01 -0.113719D+02  0.743885D+01 -0.284708D+01
      6   0.525434D+01  0.786785D+01 -0.939975D+01 -0.194564D+01  0.201196D+01
               156           157           158           159           160 
      1  -0.391306D+01  0.269750D+01 -0.538258D+01  0.101000D+02 -0.284510D+01
      2  -0.498241D+01  0.146748D+00  0.577409D+00  0.233340D+01 -0.512467D+01
      3   0.889547D+01 -0.284425D+01  0.480517D+01 -0.124334D+02  0.796977D+01
      4  -0.323675D+01  0.232919D+01 -0.242443D+01  0.326332D+01 -0.481242D+01
      5   0.100046D+02 -0.292916D+01  0.285521D+01 -0.383843D+01  0.102638D+02
      6  -0.145323D+01  0.240709D+01 -0.480162D+01  0.601837D+01 -0.383014D+01
               161           162           163           164           165 
      1   0.717371D+01 -0.220573D+02  0.144473D+02  0.670524D+01 -0.203801D+01
      2   0.449339D+00 -0.100293D+02 -0.121620D+01  0.390507D+00  0.768992D+00
      3  -0.762305D+01  0.320866D+02 -0.132311D+02 -0.709575D+01  0.126902D+01
      4   0.502000D+01 -0.694421D+01  0.140827D+02  0.180770D+02  0.184448D+01
      5  -0.456520D+01  0.156470D+02 -0.149027D+01  0.229770D+01  0.366141D+01
      6   0.801057D+01 -0.111893D+02  0.791586D+00  0.163617D+01  0.839153D+00
               166           167           168           169           170 
      1   0.129334D+02 -0.104181D+02 -0.148749D+00 -0.153594D+02  0.614642D+00
      2   0.358797D+01  0.320664D+02  0.411992D+00  0.468405D+01 -0.330379D+01
      3  -0.165214D+02 -0.216482D+02 -0.263243D+00  0.106754D+02  0.268914D+01
      4   0.288059D+02  0.554424D+02  0.295716D+01 -0.342878D+01 -0.793415D+01
      5   0.343021D+01  0.179184D+01  0.529709D+01  0.517517D+01  0.552628D+01
      6   0.308137D+01  0.692006D+01  0.544897D+01  0.181854D+01  0.518128D+01
               171           172           173           174           175 
      1  -0.154616D+01  0.715871D+01 -0.219452D+01  0.567143D+01 -0.107532D+02
      2   0.103283D+01 -0.779989D+01  0.128293D+01 -0.552071D+01  0.660633D+01
      3   0.513326D+00  0.641177D+00  0.911596D+00 -0.150725D+00  0.414689D+01
      4   0.562327D+01 -0.120283D+01  0.472090D+01  0.242222D+01  0.479965D+01
      5   0.147712D+01  0.107704D+02  0.170195D+01  0.139382D+02 -0.229212D+01
      6   0.280688D-02  0.944792D+00  0.125404D+01  0.150025D+01  0.920367D+00
               176           177           178           179           180 
      1  -0.527883D+00 -0.353000D+00  0.113419D+02 -0.220232D+01 -0.117118D+02
      2   0.699168D+00  0.235957D+01 -0.118086D+02  0.655812D+00 -0.152337D+02
      3  -0.171284D+00 -0.200657D+01  0.466703D+00  0.154651D+01  0.269455D+02
      4   0.217195D+01  0.431724D+01  0.336601D+01  0.688189D+01  0.491757D+01
      5   0.444475D+01 -0.643611D+01  0.187300D+02  0.472918D+01  0.445457D+02
      6   0.295199D+00  0.377679D+01  0.350248D+01  0.574948D+01  0.106636D+02
               181           182           183           184           185 
      1  -0.296505D+01  0.673064D+01 -0.909028D+01  0.134046D+02 -0.784964D+01
      2  -0.190969D+01 -0.264012D+01  0.275584D+01 -0.659157D+01  0.371886D+01
      3   0.487475D+01 -0.409052D+01  0.633444D+01 -0.681308D+01  0.413078D+01
      4   0.712525D+01 -0.165277D+01 -0.633153D+00 -0.129458D+00 -0.843839D+00
      5  -0.658639D+01 -0.629462D+00 -0.832624D+00  0.592874D+00 -0.642801D+01
      6  -0.178787D+00  0.372420D-01 -0.157088D+00  0.465892D+00 -0.198269D+01
               186           187           188           189           190 
      1   0.180865D+01 -0.175442D+02  0.283432D-01 -0.201842D+02  0.129114D+02
      2   0.263662D+00  0.833391D+01  0.243940D+01 -0.881233D+01 -0.373167D+01
      3  -0.207231D+01  0.921028D+01 -0.246774D+01  0.289965D+02 -0.917974D+01
      4  -0.612627D+01 -0.890818D+00 -0.881820D+01  0.668783D+01  0.148265D+02
      5   0.680129D+01  0.132680D+01  0.662910D+01 -0.535171D+02 -0.562377D+01
      6   0.677179D+01 -0.169178D+00  0.369710D+01 -0.175273D+01 -0.124949D+01
               191           192           193           194           195 
      1   0.133983D+02 -0.536867D+01  0.342856D+02  0.205499D+02 -0.121770D+01
      2  -0.438099D+01  0.240472D+01 -0.117452D+02  0.698908D+01 -0.733773D+00
      3  -0.901731D+01  0.296395D+01 -0.225404D+02 -0.275390D+02  0.195148D+01
      4   0.197790D+02 -0.235165D+01  0.425518D+02  0.880238D+02 -0.127619D+02
      5  -0.237025D+01  0.635418D+01 -0.514410D+01 -0.142531D+02  0.140195D+02
      6  -0.565490D+00  0.562505D+00 -0.232757D+01 -0.455303D+01  0.596828D+01
               196           197           198           199           200 
      1  -0.123134D+02 -0.190205D+01  0.742174D+01  0.205797D+02 -0.414557D+01
      2   0.556373D+01 -0.756980D+00 -0.400392D+01 -0.134504D+02  0.257833D+01
      3   0.674963D+01  0.265903D+01 -0.341782D+01 -0.712933D+01  0.156724D+01
      4  -0.631458D+01 -0.164628D+02  0.983967D+01 -0.358703D+01  0.583585D+01
      5   0.133933D+02  0.106465D+02 -0.296243D+01  0.160623D+02  0.166786D+00
      6   0.214820D+01  0.596017D+01 -0.256056D+01  0.432947D+00  0.151099D-01
               201           202           203           204           205 
      1   0.147737D+02 -0.124977D+02  0.620314D+01 -0.136233D+01  0.414974D+02
      2  -0.927824D+01  0.744499D+01 -0.267803D+01  0.150982D+01 -0.263473D+02
      3  -0.549548D+01  0.505273D+01 -0.352511D+01 -0.147489D+00 -0.151501D+02
      4   0.391193D+00  0.111197D+02  0.250338D+01  0.684089D+01  0.243628D+01
      5   0.215977D+02 -0.341050D+01  0.639053D+01 -0.879723D+01  0.428950D+02
      6   0.105270D+01  0.142767D+01 -0.111573D+01  0.379450D+01  0.105109D+01
               206           207           208           209           210 
      1   0.246926D+01  0.253777D+02  0.922023D+02 -0.251596D+02 -0.290483D+02
      2  -0.872379D+00 -0.261322D+02 -0.482711D+02  0.130722D+02  0.160840D+02
      3  -0.159688D+01  0.754498D+00 -0.439312D+02  0.120874D+02  0.129643D+02
      4   0.134816D+02 -0.332045D+01 -0.256675D+02  0.205613D+02  0.940667D+01
      5  -0.244839D+01  0.756884D+02 -0.330354D+02  0.101317D+02  0.254617D+02
      6   0.429499D+01  0.319684D+01  0.147187D+01 -0.761371D+00 -0.226053D+00
               211           212           213           214           215 
      1  -0.571936D+02  0.221580D+02  0.136532D+02 -0.552929D+02  0.108813D+02
      2   0.293080D+02 -0.871557D+01 -0.778553D+01  0.304838D+02 -0.657932D+01
      3   0.278856D+02 -0.134424D+02 -0.586767D+01  0.248091D+02 -0.430196D+01
      4   0.295589D+02 -0.179428D+02 -0.134869D+02  0.130452D+02 -0.173382D+02
      5   0.178582D+02 -0.139098D+02 -0.175569D+02  0.371347D+02 -0.121378D+02
      6  -0.246546D+01  0.216969D+01  0.248023D+01 -0.160296D+01  0.289771D+01
               216           217           218           219           220 
      1   0.270861D+02  0.318612D+02 -0.173936D+02 -0.119547D+02 -0.158584D+02
      2  -0.184300D+02 -0.779526D+01 -0.158410D+01  0.375479D+01 -0.163198D+01
      3  -0.865608D+01 -0.240660D+02  0.189777D+02  0.819993D+01  0.174904D+02
      4  -0.115918D+02 -0.384290D+02  0.375136D+02  0.146484D+02  0.342007D+02
      5  -0.228579D+02 -0.180033D+02  0.117223D+02  0.156609D+02  0.109311D+02
      6   0.221716D+01  0.890506D+01 -0.708689D+01 -0.848241D+01 -0.718653D+01
               221           222           223           224           225 
      1   0.922630D+01  0.308293D+01 -0.192824D+02  0.524088D+01  0.721973D+01
      2   0.107256D+02  0.362998D+01  0.639806D+01  0.491775D+01 -0.255911D+01
      3  -0.199519D+02 -0.671291D+01  0.128843D+02 -0.101586D+02 -0.466062D+01
      4  -0.401848D+02 -0.164508D+02  0.231082D+02 -0.278399D+02 -0.202551D+02
      5  -0.152603D+02 -0.127097D+02  0.193974D+02 -0.178327D+02 -0.161774D+02
      6   0.107500D+02  0.948942D+01 -0.981919D+01  0.117362D+02  0.936217D+01
               226           227           228           229           230 
      1   0.284499D+01 -0.532694D+01  0.613965D+01 -0.311806D+01 -0.131698D+01
      2  -0.113957D+01  0.111917D+01 -0.395692D+01 -0.148291D+00  0.309556D+01
      3  -0.170542D+01  0.420777D+01 -0.218273D+01  0.326635D+01 -0.177858D+01
      4  -0.848664D+01  0.944429D+01 -0.436886D+01  0.775929D+01 -0.918144D+01
      5   0.811622D+01 -0.289624D+01  0.118624D+02 -0.143786D+01  0.764262D+01
      6  -0.275861D+01  0.134470D+01 -0.426614D+01  0.180574D+01 -0.529247D+01
               231           232           233           234           235 
      1   0.330474D+01  0.120286D+02  0.559709D+01 -0.410863D+01 -0.549999D+02
      2  -0.386516D+01 -0.676558D+01 -0.689922D+01 -0.486176D+01  0.312986D+02
      3   0.560422D+00 -0.526298D+01  0.130213D+01  0.897039D+01  0.237013D+02
      4   0.792356D+01 -0.102362D+02  0.198965D+02 -0.210929D+02  0.874858D+01
      5  -0.842231D+01  0.160630D+02 -0.184663D+02  0.485536D+02 -0.508555D+01
      6   0.100159D+02 -0.691368D+01  0.136753D+02 -0.257478D+02  0.450808D+01
               236           237           238           239           240 
      1  -0.201995D+02 -0.972023D+01 -0.143522D+02 -0.140255D+02 -0.317019D+01
      2   0.179842D+02  0.533347D+01  0.123672D+02  0.129975D+02  0.308429D+01
      3   0.221524D+01  0.438675D+01  0.198504D+01  0.102805D+01  0.858949D-01
      4  -0.788926D+01  0.187690D+01  0.998721D+00 -0.205771D+01 -0.152572D+01
      5  -0.731799D+00 -0.262601D+01 -0.806726D+00 -0.229572D+01 -0.294350D+01
      6   0.230638D+01  0.405748D+01  0.139951D+01  0.212467D+01  0.364409D+01
               241           242           243           244           245 
      1  -0.982283D+01 -0.464301D+01 -0.679829D+01  0.174727D+01 -0.563126D+01
      2   0.470174D+01  0.424150D+01  0.330649D+01 -0.567533D+01  0.404786D+01
      3   0.512110D+01  0.401506D+00  0.349181D+01  0.392806D+01  0.158340D+01
      4   0.187480D+01 -0.422647D+01 -0.429003D+01 -0.693946D+01  0.529866D+01
      5   0.814576D+00 -0.518064D+01  0.111312D+01  0.109053D+02 -0.296503D+01
      6   0.220958D+01  0.474585D+01  0.650815D+00 -0.356813D+01  0.127455D+01
               246           247           248           249           250 
      1   0.485562D+01 -0.833166D+01 -0.107600D+01  0.349639D+01  0.563377D+01
      2  -0.514615D+01  0.575636D+01 -0.155894D+01  0.331171D+01 -0.786855D+01
      3   0.290530D+00  0.257530D+01  0.263493D+01 -0.680810D+01  0.223478D+01
      4  -0.250653D+01  0.830975D+01 -0.911764D+01  0.951493D+01 -0.307451D+01
      5   0.118647D+02 -0.442965D+01  0.998283D+01 -0.135787D+02  0.174212D+02
      6  -0.100042D+01  0.297111D+01 -0.576613D+01  0.758572D+01 -0.186887D+01
               251           252           253           254           255 
      1   0.141413D+01 -0.547063D+01 -0.406207D+02 -0.329579D+02 -0.330607D+02
      2   0.504343D+01 -0.147971D+02  0.211066D+02  0.190321D+02  0.122031D+02
      3  -0.645756D+01  0.202677D+02  0.195141D+02  0.139258D+02  0.208576D+02
      4   0.117282D+02 -0.106433D+02 -0.422615D+02 -0.480569D+01 -0.112436D+02
      5  -0.105030D+02  0.347490D+02 -0.388069D+02 -0.721420D+01  0.184210D+01
      6   0.683030D+01 -0.629700D+01 -0.194295D+02  0.273957D+01  0.935464D+01
               256           257           258           259           260 
      1  -0.190788D+02 -0.177165D+01 -0.111603D+01 -0.314737D+02 -0.138342D+00
      2   0.192171D+02  0.123756D+02  0.142172D+02  0.123233D+02  0.129446D+02
      3  -0.138305D+00 -0.106040D+02 -0.131012D+02  0.191504D+02 -0.128063D+02
      4   0.127898D+02  0.264144D+02  0.147871D+02 -0.798992D+01  0.103435D+02
      5   0.172414D+00  0.155895D+02 -0.106504D+02  0.512286D+01 -0.160591D+02
      6   0.916520D+01  0.134313D+02 -0.644652D+01  0.796880D+01 -0.131411D+02
               261           262           263           264           265 
      1   0.225878D+02  0.318281D+02 -0.183797D+02 -0.144950D+02 -0.104328D+02
      2  -0.202312D+02 -0.131302D+02  0.586295D+01  0.650310D+01  0.116113D+01
      3  -0.235664D+01 -0.186979D+02  0.125167D+02  0.799188D+01  0.927168D+01
      4  -0.966242D+01 -0.306296D+02  0.252633D+02  0.142965D+02  0.202232D+02
      5   0.700350D+01 -0.196808D+02  0.127042D+02  0.158460D+02  0.894454D+01
      6  -0.361826D+01  0.827010D+01 -0.593824D+01 -0.560492D+01 -0.478062D+01
               266           267           268           269           270 
      1   0.726079D+01  0.351055D+01 -0.243646D+02  0.137943D+02  0.138825D+02
      2   0.287291D+01  0.445483D+00  0.115591D+02 -0.393375D+01 -0.804546D+01
      3  -0.101337D+02 -0.395603D+01  0.128056D+02 -0.986050D+01 -0.583704D+01
      4  -0.263485D+02 -0.112491D+02  0.297193D+02 -0.303943D+02 -0.237763D+02
      5  -0.102115D+02 -0.976078D+01  0.275916D+02 -0.216902D+02 -0.273977D+02
      6   0.706852D+01  0.567608D+01 -0.115257D+02  0.117325D+02  0.126150D+02
               271           272           273           274           275 
      1  -0.124764D+02  0.174911D+02  0.200380D+02  0.825801D+01 -0.151406D+02
      2   0.497406D+01 -0.124757D+02 -0.666971D+01 -0.602214D+01  0.117828D+02
      3   0.750238D+01 -0.501537D+01 -0.133682D+02 -0.223588D+01  0.335785D+01
      4  -0.114496D+01 -0.364397D+01  0.846592D+00  0.166715D+01  0.324337D+01
      5   0.311764D+01 -0.280336D+01 -0.513335D+01  0.143459D+00  0.321196D+01
      6   0.842202D+01 -0.105313D+02 -0.129668D+02 -0.461851D+01  0.110414D+02
               276           277           278           279           280 
      1  -0.111827D+02  0.166001D+02 -0.167125D+02 -0.274268D+02  0.162852D+01
      2   0.640225D+01 -0.604047D+01  0.878752D+01  0.595463D+01  0.119507D+01
      3   0.478044D+01 -0.105596D+02  0.792502D+01  0.214722D+02 -0.282359D+01
      4   0.262779D+01  0.573375D+01  0.740407D+01  0.600086D+01  0.465294D+01
      5   0.602431D+01  0.136623D+01  0.106664D+02  0.153636D+02 -0.835800D-01
      6   0.124765D+02 -0.582352D+01  0.175958D+02  0.222840D+02 -0.985230D+00
               281           282           283           284           285 
      1   0.830837D+01 -0.726478D+00  0.629014D+01 -0.113574D+02  0.456206D+01
      2  -0.707017D+01  0.157182D+01 -0.316356D+01  0.213460D+02 -0.119195D+02
      3  -0.123820D+01 -0.845346D+00 -0.312658D+01 -0.998858D+01  0.735742D+01
      4   0.951677D+00 -0.267932D+00  0.534331D+01  0.146009D+02 -0.808006D+01
      5   0.154652D+01 -0.891060D+00  0.584776D+00 -0.993396D+01  0.103695D+02
      6   0.245616D-01 -0.271123D+01 -0.370807D+00 -0.680189D+01  0.927524D+01
               286           287           288           289           290 
      1  -0.598652D+01  0.904202D+01 -0.845374D+01  0.763860D+02  0.186187D+02
      2   0.223040D+01 -0.194750D+02  0.123600D+02 -0.350310D+02 -0.207488D+01
      3   0.375612D+01  0.104330D+02 -0.390628D+01 -0.413549D+02 -0.165439D+02
      4  -0.681736D+01 -0.184784D+02  0.701769D+01  0.562495D+02  0.315172D+02
      5  -0.109919D+01  0.957384D+01 -0.177415D+02  0.421675D+02  0.148657D+02
      6  -0.200071D+01  0.784701D+01 -0.128416D+02  0.165659D+02  0.997804D+01
               291           292           293           294           295 
      1   0.171769D+02  0.938313D+01  0.786372D+01  0.164453D+01  0.152953D+02
      2  -0.106034D+02  0.698368D+00  0.529227D+00 -0.549974D+00 -0.101626D+02
      3  -0.657347D+01 -0.100815D+02 -0.839295D+01 -0.109456D+01 -0.513270D+01
      4   0.161485D+02  0.211174D+02  0.138276D+02  0.501844D+01  0.141242D+02
      5   0.219176D+02  0.716070D+01  0.603176D+01  0.514631D+01  0.213976D+02
      6   0.942292D+01  0.603807D+01  0.420332D+01  0.516982D+01  0.813516D+01
               296           297 
      1   0.257837D+01  0.657441D+01
      2  -0.161625D+01 -0.490512D+01
      3  -0.962116D+00 -0.166929D+01
      4   0.764971D+01  0.105194D+02
      5   0.957377D+01  0.138583D+02
      6   0.719110D+01  0.682460D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.703188D+00      0.178732D+01      0.596187D+01
   x         -0.418088D+00     -0.106267D+01     -0.354469D+01
   y         -0.341455D+00     -0.867891D+00     -0.289497D+01
   z          0.450649D+00      0.114543D+01      0.382076D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159858D+03      0.236885D+02      0.263571D+02
   aniso      0.764522D+02      0.113291D+02      0.126053D+02
   xx         0.208368D+03      0.308769D+02      0.343552D+02
   yx         0.931197D+01      0.137989D+01      0.153534D+01
   yy         0.134084D+03      0.198693D+02      0.221075D+02
   zx         0.307555D+01      0.455749D+00      0.507089D+00
   zy        -0.921756D+01     -0.136590D+01     -0.151977D+01
   zz         0.137123D+03      0.203195D+02      0.226084D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170221D+03      0.252241D+02      0.280656D+02
   aniso      0.803396D+02      0.119051D+02      0.132462D+02
   xx         0.221160D+03      0.327725D+02      0.364644D+02
   yx         0.996501D+01      0.147666D+01      0.164301D+01
   yy         0.143207D+03      0.212210D+02      0.236116D+02
   zx         0.344458D+01      0.510434D+00      0.567934D+00
   zy        -0.958163D+01     -0.141985D+01     -0.157980D+01
   zz         0.146295D+03      0.216787D+02      0.241208D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.10145150         -0.51474578          3.04519026
     6         -2.22361323         -0.63331010          1.81130981
     6          2.33725247         -0.24980902          1.69946998
     6          2.31707738         -0.08354237         -0.92611061
     6          0.00121780         -0.21453402         -2.17250801
     6         -2.22908876         -0.48735371         -0.81904178
     6         -4.64107380         -0.84653986          3.29313845
     6         -5.46928815          1.64045208          4.56382459
     6         -7.77634742          1.18811662          6.23965148
     6         -5.98559281          3.71401549          2.62336802
     6          4.76486309          0.26687338         -2.38791527
     6          5.04419418         -1.88737721         -4.25775175
     8          4.38298990         -1.85290953         -6.43412741
     8          6.09853045         -3.94921689         -3.17663824
     1          0.16590638         -0.64307097          5.08831814
     1          4.12167492         -0.17830936          2.70048146
     1         -0.05703619         -0.12489036         -4.21573445
     1         -4.00960549         -0.58946142         -1.82430782
     1         -4.42117528         -2.28736851          4.75858178
     1         -6.16176577         -1.49240845          2.05032400
     1         -3.90714111          2.26739457          5.76991374
     1         -7.39574952         -0.24564442          7.67450317
     1         -9.38300498          0.54110389          5.11225885
     1         -8.34633183          2.92012780          7.20502054
     1         -6.53411597          5.47142888          3.55430907
     1         -7.52775484          3.16285746          1.36175967
     1         -4.32724537          4.09694941          1.46220334
     1          6.32176010          0.11021833         -1.04635698
     6          4.88428905          2.82315577         -3.73289574
     1          6.12125891         -5.26872864         -4.44944632
     1          4.66025151          4.34113464         -2.35885364
     1          3.38717392          2.97850394         -5.13525120
     1          6.68869274          3.06476906         -4.69998770

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.703188D+00      0.178732D+01      0.596187D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.703188D+00      0.178732D+01      0.596187D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159858D+03      0.236885D+02      0.263571D+02
   aniso      0.764522D+02      0.113291D+02      0.126053D+02
   xx         0.183110D+03      0.271340D+02      0.301907D+02
   yx        -0.588824D+01     -0.872547D+00     -0.970839D+00
   yy         0.126103D+03      0.186866D+02      0.207917D+02
   zx        -0.319070D+02     -0.472813D+01     -0.526076D+01
   zy         0.651298D+00      0.965124D-01      0.107385D+00
   zz         0.170361D+03      0.252450D+02      0.280888D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170221D+03      0.252241D+02      0.280656D+02
   aniso      0.803396D+02      0.119051D+02      0.132462D+02
   xx         0.194749D+03      0.288588D+02      0.321098D+02
   yx        -0.597368D+01     -0.885208D+00     -0.984927D+00
   yy         0.134789D+03      0.199736D+02      0.222236D+02
   zx        -0.335791D+02     -0.497592D+01     -0.553645D+01
   zy         0.512160D+00      0.758942D-01      0.844437D-01
   zz         0.181124D+03      0.268398D+02      0.298633D+02

 ----------------------------------------------------------------------
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 If fifty million people say a stupid thing,
 it is still a stupid thing.
                   -- Anatole France
 Job cpu time:       0 days 20 hours 26 minutes 28.0 seconds.
 Elapsed time:       0 days  2 hours 33 minutes 42.4 seconds.
 File lengths (MBytes):  RWF=    703 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep 27 12:26:53 2021.
